TL;DR: Thymidine, 3'-chloro-3'-deoxy- (CAS 25526-94-7) is a chemical compound with molecular formula C10H13ClN2O4 and molecular weight 260.0564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Chloro-3'-deoxythymidine, Zidovudine EP Impurity B, Zidovudine impurity B, Thymidine, 3'-chloro-3'-deoxy-, 3'-Cl-ddT
| Molecular Formula | C10H13ClN2O4 |
| Molecular Weight | 260.0564 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0564 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)Cl |
| InChIKey | KQVJDKGDGLWBQT-XLPZGREQSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-chloro-3'-deoxy-. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-chloro-3'-deoxy-. Following Lipinski's Rule of Five, Thymidine, 3'-chloro-3'-deoxy- has 2 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 Thymidine, 3'-chloro-3'-deoxy- is 25526-94-7.
The molecular formula of Thymidine, 3'-chloro-3'-deoxy- is C10H13ClN2O4.
The molecular weight of Thymidine, 3'-chloro-3'-deoxy- is 260.0564 g/mol.
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