AS-871/40882041
TL;DR: AS-871/40882041 (CAS 84677-88-3) is a chemical compound with molecular formula C8H5F3N4OS and molecular weight 262.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-furan-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: AS-871/40882041, (E)-4-((furan-2-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(2-furyl)-1-azavinyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, 4-[(2-furylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 4-[(E)-furan-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C8H5F3N4OS |
|---|---|
| Molecular Weight | 262.01 g/mol |
| LogP | 2.43469 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0136 |
| Heavy Atoms | 17 |
| Complexity | 580.6774 |
Chemical Identifiers
| CAS Number | 84677-88-3 |
|---|---|
| SMILES | C1=COC(=C1)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
AS-871/40882041 (CAS 84677-88-3), with molecular formula C8H5F3N4OS and molecular weight 262.01 g/mol. IUPAC: 4-[(E)-furan-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AS-871/40882041
Property Insights of AS-871/40882041
The XLogP value of 2.43469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/40882041. With a topological polar surface area (TPSA) of 59.11 Ų, AS-871/40882041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/40882041 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-871/40882041?
The CAS number of AS-871/40882041 is 84677-88-3.
What is the molecular formula of AS-871/40882041?
The molecular formula of AS-871/40882041 is C8H5F3N4OS.
What is the molecular weight of AS-871/40882041?
The molecular weight of AS-871/40882041 is 262.01 g/mol.
Where can I buy AS-871/40882041?
You can request a quote for AS-871/40882041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40882041?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40882041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.