AN-698/41761267
TL;DR: AN-698/41761267 (CAS 665016-85-3) is a chemical compound with molecular formula C20H18ClF3N4O2S and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/41761267, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H18ClF3N4O2S |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 4.8175 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0791 |
| Heavy Atoms | 31 |
| Complexity | 1071.2772 |
Chemical Identifiers
| CAS Number | 665016-85-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/41761267 (CAS 665016-85-3), with molecular formula C20H18ClF3N4O2S and molecular weight 470.08 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/41761267
Property Insights of AN-698/41761267
The XLogP value of 4.8175 indicates that AN-698/41761267 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-698/41761267. Following Lipinski's Rule of Five, AN-698/41761267 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-698/41761267?
The CAS number of AN-698/41761267 is 665016-85-3.
What is the molecular formula of AN-698/41761267?
The molecular formula of AN-698/41761267 is C20H18ClF3N4O2S.
What is the molecular weight of AN-698/41761267?
The molecular weight of AN-698/41761267 is 470.08 g/mol.
Where can I buy AN-698/41761267?
You can request a quote for AN-698/41761267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41761267?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41761267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.