Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate

Modify Date: 2026-09-01 11:35:12

Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate structure	Common Name	Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate
	CAS Number	103335-41-7	Molecular Weight	331.449
	Density	1.1±0.1 g/cm3	Boiling Point	478.6±45.0 °C at 760 mmHg
	Molecular Formula	C₂₀H₂₉NO₃	Melting Point	280-282ºC (dec.)
	MSDS	N/A	Flash Point	243.3±28.7 °C

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	478.6±45.0 °C at 760 mmHg
Melting Point	280-282ºC (dec.)
Molecular Formula	C₂₀H₂₉NO₃
Molecular Weight	331.449
Flash Point	243.3±28.7 °C
Exact Mass	331.214752
PSA	55.40000
LogP	3.24
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.525
InChIKey	WMSQGMYJYBSBKA-ALHYADCGSA-N
SMILES	COC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

methyl (1S,5aR,...

CAS#:73671-92-8

Methyl 3-oxo-4-...

CAS#:103335-41-7

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Literature: Journal of the American Chemical Society, , vol. 110, # 10 p. 3318 - 3319

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 1
CAS#:73671-92-8 methyl (1S,5aR,...
DownStream 2
CAS#:98319-26-7 Finasteride CAS#:104239-97-6 4-Aza-5a-andros...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Ratio of IC50 to that of 10x compound against Steroid 5-alpha-reductase
Source: ChEMBL
Target: 3-oxo-5-alpha-steroid 4-dehydrogenase 2
External Id: CHEMBL814228

Name: Inhibition of human 5 alpha reductase assessed as -log of ratio of IC50 of drug to th...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1040545

Name: In vitro antagonist activity against rat prostatic androgen receptor (AR)
Source: ChEMBL
Target: Androgen receptor
External Id: CHEMBL652259

Total 3, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Methyl 4-aza-5alpha-Androsta-1-en-3-one-17beta-Carboxylate

Methyl 3-oxo-4-aza-5a-androst-1-ene-17beta-carboxylate

Methyl 4-aza-5a-Androsta-1-en-3-one-17b-Carboxylate

3-Oxo-4-aza-5Alpha-Alphandrost-1-ene-17Beta-carboxylic Acid Methyl Ester

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-methyl 4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate

Methyl (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate

Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate

Dutasteride Impurity 3

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Molecular formula of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is C20H29NO3.

Q: What is the CAS number of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: CAS number of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is 103335-41-7.

Q: What is the polar surface area (PSA) of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Polar surface area (PSA) of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is 55.40000.

Q: What is the boiling point of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Boiling point of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is 478.6±45.0 °C at 760 mmHg.

Q: What is the English name of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: The English name of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate.

Q: What is the LogP of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: LogP of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is 3.24.

Q: What are the upstream materials of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Related upstream materials(CAS) of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate: 73671-92-8.

Q: What are the downstream products of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Related downstream products(CAS) of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate: 98319-26-7;104239-97-6.

Q: What is the InChIKey of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: InChIKey of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is WMSQGMYJYBSBKA-ALHYADCGSA-N.

Q: What is the molecular weight of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate?

A: Molecular weight of methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate is 331.449.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate

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Chemical & Physical Properties

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Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.