5-Chloro-2'-deoxy-2-thiouridine
TL;DR: 5-Chloro-2'-deoxy-2-thiouridine (CAS 169557-05-5) is a chemical compound with molecular formula C9H11ClN2O4S and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-Chloro-2'-deoxy-2-thiouridine, uridine, 5-chloro-2'-deoxy-2-thio-, 2 -Deoxy-5-chloro-2-thiouridine, Uridine, 5-chloro-2a(2)-deoxy-2-thio-, J1.166.961A
| Molecular Formula | C9H11ClN2O4S |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 0.19999 |
| Topological Polar Surface Area | 87.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.01282 |
| Heavy Atoms | 17 |
| Complexity | 528.4625 |
Chemical Identifiers
| CAS Number | 169557-05-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=S)Cl)CO)O |
Product Overview
5-Chloro-2'-deoxy-2-thiouridine (CAS 169557-05-5), with molecular formula C9H11ClN2O4S and molecular weight 278.01 g/mol. IUPAC: 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-Chloro-2'-deoxy-2-thiouridine
Property Insights of 5-Chloro-2'-deoxy-2-thiouridine
The XLogP value of 0.19999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2'-deoxy-2-thiouridine. The TPSA of 87.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2'-deoxy-2-thiouridine. Following Lipinski's Rule of Five, 5-Chloro-2'-deoxy-2-thiouridine 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 5-Chloro-2'-deoxy-2-thiouridine?
The CAS number of 5-Chloro-2'-deoxy-2-thiouridine is 169557-05-5.
What is the molecular formula of 5-Chloro-2'-deoxy-2-thiouridine?
The molecular formula of 5-Chloro-2'-deoxy-2-thiouridine is C9H11ClN2O4S.
What is the molecular weight of 5-Chloro-2'-deoxy-2-thiouridine?
The molecular weight of 5-Chloro-2'-deoxy-2-thiouridine is 278.01 g/mol.
Where can I buy 5-Chloro-2'-deoxy-2-thiouridine?
You can request a quote for 5-Chloro-2'-deoxy-2-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2'-deoxy-2-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2'-deoxy-2-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.