2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine
TL;DR: 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine (CAS 174358-08-8) is a chemical compound with molecular formula C11H13F3N2O4S and molecular weight 326.05 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]-5-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine, uridine, 2'-deoxy-4'-thio-5-(2,2,2-trifluoroethyl)-, 1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-(2,2,2-trifluoroethyl)uracil, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H13F3N2O4S |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0548 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 174358-08-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)CC(F)(F)F)CO)O |
| InChIKey | PUZKEWARCWLCTF-XLPZGREQSA-N |
Product Overview
2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine (CAS 174358-08-8), with molecular formula C11H13F3N2O4S and molecular weight 326.05 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine
Property Insights of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine has 3 hydrogen bond donor(s) and 8 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-(2,2,2-trifluoro-ethyl)-4'-thiouridine?
The CAS number of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine is 174358-08-8.
What is the molecular formula of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine?
The molecular formula of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine is C11H13F3N2O4S.
What is the molecular weight of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine?
The molecular weight of 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine is 326.05 g/mol.
Where can I buy 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine?
You can request a quote for 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-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-(2,2,2-trifluoro-ethyl)-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-(2,2,2-trifluoro-ethyl)-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.