AS-871/42949300
TL;DR: AS-871/42949300 (CAS 467244-74-2) is a chemical compound with molecular formula C9H6F3N5S and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: AS-871/42949300, 4-[(2-pyridinylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, F3111-2033, 4-[(E)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione, 4-[(E)-(PYRIDIN-2-YLMETHYLIDENE)AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C9H6F3N5S |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 2.23669 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0296 |
| Heavy Atoms | 18 |
| Complexity | 613.1236 |
Chemical Identifiers
| CAS Number | 467244-74-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
AS-871/42949300 (CAS 467244-74-2), with molecular formula C9H6F3N5S and molecular weight 273.03 g/mol. IUPAC: 4-[(E)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AS-871/42949300
Property Insights of AS-871/42949300
The XLogP value of 2.23669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42949300. With a topological polar surface area (TPSA) of 58.86 Ų, AS-871/42949300 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42949300 has 1 hydrogen bond donor(s) and 4 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 AS-871/42949300?
The CAS number of AS-871/42949300 is 467244-74-2.
What is the molecular formula of AS-871/42949300?
The molecular formula of AS-871/42949300 is C9H6F3N5S.
What is the molecular weight of AS-871/42949300?
The molecular weight of AS-871/42949300 is 273.03 g/mol.
Where can I buy AS-871/42949300?
You can request a quote for AS-871/42949300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42949300?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42949300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.