AN-698/42116514
TL;DR: AN-698/42116514 (CAS 694465-50-4) is a chemical compound with molecular formula C17H12Cl2F3N5OS and molecular weight 461.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-698/42116514, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-amino-5-(2,4-dichlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3-(trifluorometh yl)phenyl]acetamide
| Molecular Formula | C17H12Cl2F3N5OS |
|---|---|
| Molecular Weight | 461.01 g/mol |
| LogP | 4.7153 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.0092 |
| Heavy Atoms | 29 |
| Complexity | 1057.7878 |
Chemical Identifiers
| CAS Number | 694465-50-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
Product Overview
AN-698/42116514 (CAS 694465-50-4), with molecular formula C17H12Cl2F3N5OS and molecular weight 461.01 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-698/42116514
Property Insights of AN-698/42116514
The XLogP value of 4.7153 indicates that AN-698/42116514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116514. Following Lipinski's Rule of Five, AN-698/42116514 has 2 hydrogen bond donor(s) and 5 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 AN-698/42116514?
The CAS number of AN-698/42116514 is 694465-50-4.
What is the molecular formula of AN-698/42116514?
The molecular formula of AN-698/42116514 is C17H12Cl2F3N5OS.
What is the molecular weight of AN-698/42116514?
The molecular weight of AN-698/42116514 is 461.01 g/mol.
Where can I buy AN-698/42116514?
You can request a quote for AN-698/42116514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116514?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.