5-Trifluoromethylthio-6-azuridine
TL;DR: 5-Trifluoromethylthio-6-azuridine (CAS 113307-11-2) is a chemical compound with molecular formula C9H10F3N3O6S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(trifluoromethylsulfanyl)-1,2,4-triazine-3,5-dione
Also Known As: 5-Trifluoromethylthio-6-azuridine, 1,2,4-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-6-((trifluoromethyl)thio)-, 2-beta-D-Ribofuranosyl-6-((trifluoromethyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione, 2-beta-D-Ribofuranosyl-6-[(trifluoromethyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione, 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(trifluoromethylsulfanyl)-1,2,4-triazine-3,5-dione
| Molecular Formula | C9H10F3N3O6S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | -1.845 |
| Topological Polar Surface Area | 137.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02423 |
| Heavy Atoms | 22 |
| Complexity | 661.2226 |
Chemical Identifiers
| CAS Number | 113307-11-2 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C(=N2)SC(F)(F)F)O)O)O |
Product Overview
5-Trifluoromethylthio-6-azuridine (CAS 113307-11-2), with molecular formula C9H10F3N3O6S and molecular weight 345.02 g/mol. IUPAC: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(trifluoromethylsulfanyl)-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 5-Trifluoromethylthio-6-azuridine
Property Insights of 5-Trifluoromethylthio-6-azuridine
The XLogP value of -1.845 indicates that 5-Trifluoromethylthio-6-azuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Trifluoromethylthio-6-azuridine. Following Lipinski's Rule of Five, 5-Trifluoromethylthio-6-azuridine has 4 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 5-Trifluoromethylthio-6-azuridine?
The CAS number of 5-Trifluoromethylthio-6-azuridine is 113307-11-2.
What is the molecular formula of 5-Trifluoromethylthio-6-azuridine?
The molecular formula of 5-Trifluoromethylthio-6-azuridine is C9H10F3N3O6S.
What is the molecular weight of 5-Trifluoromethylthio-6-azuridine?
The molecular weight of 5-Trifluoromethylthio-6-azuridine is 345.02 g/mol.
Where can I buy 5-Trifluoromethylthio-6-azuridine?
You can request a quote for 5-Trifluoromethylthio-6-azuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Trifluoromethylthio-6-azuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Trifluoromethylthio-6-azuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.