TL;DR: 2'-Chloro-2'-deoxyadenosine (CAS 2627-62-5) is a chemical compound with molecular formula C10H12ClN5O3 and molecular weight 285.06287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2'-Chloro-2'-deoxyadenosine, 2'-chlorodeoxyadenosine, 2'-Deoxy-2'-chloroadenosine, Adenosine, 2'-chloro-2'-deoxy-, 2'-cdA
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12ClN5O3 |
| Molecular Weight | 285.06287 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.06287 Da |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)N |
| InChIKey | ADXUXRNLBYKGOA-QYYRPYCUSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Chloro-2'-deoxyadenosine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Chloro-2'-deoxyadenosine. Following Lipinski's Rule of Five, 2'-Chloro-2'-deoxyadenosine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2'-Chloro-2'-deoxyadenosine is 2627-62-5.
The molecular formula of 2'-Chloro-2'-deoxyadenosine is C10H12ClN5O3.
The molecular weight of 2'-Chloro-2'-deoxyadenosine is 285.06287 g/mol.
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