TL;DR: Brcdr (CAS 1022-79-3) is a chemical compound with molecular formula C9H12BrN3O4 and molecular weight 305.00113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-溴脱氧胞苷
4-amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: Brcdr, Bromodeoxycytidine, 5-Bromodeoxycytidine, BCDR, 5-Bromo-2'-deoxycytidine
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H12BrN3O4 |
| Molecular Weight | 305.00113 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.00113 Da |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
| SMILES | C1[C@@H](O[C@@H](C1O)CO)N2C=C(C(=NC2=O)N)Br |
| InChIKey | KISUPFXQEHWGAR-JXBXZBNISA-N |
The XLogP value of -0.9 indicates that Brcdr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Brcdr. Following Lipinski's Rule of Five, Brcdr has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Brcdr is 1022-79-3.
The molecular formula of Brcdr is C9H12BrN3O4.
The molecular weight of Brcdr is 305.00113 g/mol.
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