8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
Modify Date: 2025-08-25 13:08:12
8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione structure
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Common Name | 8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione | ||
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| CAS Number | 853029-57-9 | Molecular Weight | 453.292 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 602.9±65.0 °C at 760 mmHg | |
| Molecular Formula | C20H17BrN6O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 318.4±34.3 °C | |
| Name | 8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione |
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| Synonym | More Synonyms |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 602.9±65.0 °C at 760 mmHg |
| Molecular Formula | C20H17BrN6O2 |
| Molecular Weight | 453.292 |
| Flash Point | 318.4±34.3 °C |
| Exact Mass | 452.059631 |
| PSA | 87.60000 |
| LogP | 3.96 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.713 |
| InChIKey | RCZJXCXNYGHNSR-UHFFFAOYSA-N |
| SMILES | CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C |
| Storage condition | 2-8°C |
| HS Code | 2933990090 |
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~95%
8-Bromo-7-but-2... CAS#:853029-57-9 |
| Literature: WO2005/51950 A1, ; Page/Page column 18 ; |
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8-Bromo-7-but-2... CAS#:853029-57-9 |
| Literature: Journal of Medicinal Chemistry, , vol. 50, # 26 p. 6450 - 6453 |
| Precursor 2 | |
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| DownStream 0 | |
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| 1H-Purine-2,6-dione,8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl] |
| 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine |
| 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(but-2-ynyl)-8-bromo-xanthine |
| 2-bromo-1-(but-2-ynyl)-4-methyl-6-((4-methylquinazolin-2-yl)methyl)-1H-imidazo[4,5-b]pyridine-5,7-(4H,6H)-dione |
| 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione |
| X4789 |
| 8-bromo-7-(but-2-ynyl)-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione |
| 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine |
| 8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione |