5-Cyano-2'-deoxy-4'-thiouridine
TL;DR: 5-Cyano-2'-deoxy-4'-thiouridine (CAS 174358-16-8) is a chemical compound with molecular formula C10H11N3O4S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 5-Cyano-2'-deoxy-4'-thiouridine, uridine, 5-cyano-2'-deoxy-4'-thio-, 1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-cyanouracil, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-2,4-dioxo-pyrimidine-5-carbonitrile
| Molecular Formula | C10H11N3O4S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.04703 |
| Heavy Atoms | 18 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 174358-16-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)C#N)CO)O |
| InChIKey | OTKYBZXCZFHHJO-XLPZGREQSA-N |
Product Overview
5-Cyano-2'-deoxy-4'-thiouridine (CAS 174358-16-8), with molecular formula C10H11N3O4S and molecular weight 269.05 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 5-Cyano-2'-deoxy-4'-thiouridine
Property Insights of 5-Cyano-2'-deoxy-4'-thiouridine
The XLogP value of -0.6 indicates that 5-Cyano-2'-deoxy-4'-thiouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-2'-deoxy-4'-thiouridine. Following Lipinski's Rule of Five, 5-Cyano-2'-deoxy-4'-thiouridine has 3 hydrogen bond donor(s) and 6 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-Cyano-2'-deoxy-4'-thiouridine?
The CAS number of 5-Cyano-2'-deoxy-4'-thiouridine is 174358-16-8.
What is the molecular formula of 5-Cyano-2'-deoxy-4'-thiouridine?
The molecular formula of 5-Cyano-2'-deoxy-4'-thiouridine is C10H11N3O4S.
What is the molecular weight of 5-Cyano-2'-deoxy-4'-thiouridine?
The molecular weight of 5-Cyano-2'-deoxy-4'-thiouridine is 269.05 g/mol.
Where can I buy 5-Cyano-2'-deoxy-4'-thiouridine?
You can request a quote for 5-Cyano-2'-deoxy-4'-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2'-deoxy-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2'-deoxy-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.