2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine
TL;DR: 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine (CAS 174358-10-2) is a chemical compound with molecular formula C11H13ClN2O4S and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine, 5-(2-Chloroethenyl)-2'-deoxy-4'-thio-(E)uridine, uridine, 5-(2-chloroethenyl)-2'-deoxy-4'-thio-(E)-, 1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-[(E)-2-chloroethenyl]uracil, 5-[(1E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H13ClN2O4S |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 0.1034 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.02844 |
| Heavy Atoms | 19 |
| Complexity | 597.0934 |
Chemical Identifiers
| CAS Number | 174358-10-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)/C=C/Cl)CO)O |
Product Overview
2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine (CAS 174358-10-2), with molecular formula C11H13ClN2O4S and molecular weight 304.03 g/mol. IUPAC: 5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine
Property Insights of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine
The XLogP value of 0.1034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-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 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine?
The CAS number of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine is 174358-10-2.
What is the molecular formula of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine?
The molecular formula of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine is C11H13ClN2O4S.
What is the molecular weight of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine?
The molecular weight of 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine is 304.03 g/mol.
Where can I buy 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine?
You can request a quote for 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-((E)-2-chloro-vinyl)-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.