2'-Chlorothymidine
TL;DR: 2'-Chlorothymidine (CAS 54898-34-9) is a chemical compound with molecular formula C10H13ClN2O5 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'-Chlorothymidine, 2'-Chlor-thymidin, 2'-Chloro-2'-deoxythymidine, 2'-Chloro-2'-deoxy-5-Methyluridine, Uridine, 2'-chloro-2'-deoxy-5-methyl-
| Molecular Formula | C10H13ClN2O5 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0513 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 54898-34-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)Cl |
| InChIKey | WQMQACLYZYXSDZ-JXOAFFINSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Chlorothymidine (CAS 54898-34-9), with molecular formula C10H13ClN2O5 and molecular weight 276.05 g/mol. IUPAC: 1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 2'-Chlorothymidine
Property Insights of 2'-Chlorothymidine
The XLogP value of -0.9 indicates that 2'-Chlorothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Chlorothymidine. Following Lipinski's Rule of Five, 2'-Chlorothymidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Chlorothymidine?
The CAS number of 2'-Chlorothymidine is 54898-34-9.
What is the molecular formula of 2'-Chlorothymidine?
The molecular formula of 2'-Chlorothymidine is C10H13ClN2O5.
What is the molecular weight of 2'-Chlorothymidine?
The molecular weight of 2'-Chlorothymidine is 276.05 g/mol.
Where can I buy 2'-Chlorothymidine?
You can request a quote for 2'-Chlorothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chlorothymidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chlorothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.