AN-698/42147506
TL;DR: AN-698/42147506 (CAS 665018-93-9) is a chemical compound with molecular formula C20H19F3N4O2S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-698/42147506, 2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-methyl-5-(phenoxyethyl)(1,2,4-triazol-3-ylthio)]-N-[3-(trifluoromethyl)ph enyl]acetamide
| Molecular Formula | C20H19F3N4O2S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.7047 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.11807 |
| Heavy Atoms | 30 |
| Complexity | 1008.7862 |
Chemical Identifiers
| CAS Number | 665018-93-9 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC3=CC=CC=C3 |
Product Overview
AN-698/42147506 (CAS 665018-93-9), with molecular formula C20H19F3N4O2S and molecular weight 436.12 g/mol. IUPAC: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-698/42147506
Property Insights of AN-698/42147506
The XLogP value of 4.7047 indicates that AN-698/42147506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42147506. Following Lipinski's Rule of Five, AN-698/42147506 has 1 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-698/42147506?
The CAS number of AN-698/42147506 is 665018-93-9.
What is the molecular formula of AN-698/42147506?
The molecular formula of AN-698/42147506 is C20H19F3N4O2S.
What is the molecular weight of AN-698/42147506?
The molecular weight of AN-698/42147506 is 436.12 g/mol.
Where can I buy AN-698/42147506?
You can request a quote for AN-698/42147506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147506?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.