F2649-0055
TL;DR: F2649-0055 (CAS 880801-80-9) is a chemical compound with molecular formula C16H13F3N6OS and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: F2649-0055, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(4-Amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C16H13F3N6OS |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.8035 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08237 |
| Heavy Atoms | 27 |
| Complexity | 944.82874 |
Chemical Identifiers
| CAS Number | 880801-80-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)C(F)(F)F |
Product Overview
F2649-0055 (CAS 880801-80-9), with molecular formula C16H13F3N6OS and molecular weight 394.08 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F2649-0055
Property Insights of F2649-0055
The XLogP value of 2.8035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2649-0055. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F2649-0055. Following Lipinski's Rule of Five, F2649-0055 has 2 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 F2649-0055?
The CAS number of F2649-0055 is 880801-80-9.
What is the molecular formula of F2649-0055?
The molecular formula of F2649-0055 is C16H13F3N6OS.
What is the molecular weight of F2649-0055?
The molecular weight of F2649-0055 is 394.08 g/mol.
Where can I buy F2649-0055?
You can request a quote for F2649-0055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2649-0055?
Yes, KEHONG BIO provides custom synthesis services for F2649-0055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.