F1739-0098
TL;DR: F1739-0098 (CAS 831179-16-9) is a chemical compound with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-thiophen-2-ylethanone
Also Known As: F1739-0098, 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-thiophen-2-ylethanone, 2-((2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio)-1-(thiophen-2-yl)ethanone, 2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(thiophen-2-yl)ethanone, 2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]-1-(2-thienyl)ethanone
| Molecular Formula | C13H12N4OS2 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 2.77764 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.04526 |
| Heavy Atoms | 20 |
| Complexity | 764.12305 |
Chemical Identifiers
| CAS Number | 831179-16-9 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)SCC(=O)C3=CC=CS3)C |
Product Overview
F1739-0098 (CAS 831179-16-9), with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol. IUPAC: 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-thiophen-2-ylethanone.
Chemical Property Profile of F1739-0098
Property Insights of F1739-0098
The XLogP value of 2.77764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1739-0098. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F1739-0098. Following Lipinski's Rule of Five, F1739-0098 has 0 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 F1739-0098?
The CAS number of F1739-0098 is 831179-16-9.
What is the molecular formula of F1739-0098?
The molecular formula of F1739-0098 is C13H12N4OS2.
What is the molecular weight of F1739-0098?
The molecular weight of F1739-0098 is 304.05 g/mol.
Where can I buy F1739-0098?
You can request a quote for F1739-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1739-0098?
Yes, KEHONG BIO provides custom synthesis services for F1739-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.