AN-698/42116227
TL;DR: AN-698/42116227 (CAS 665018-38-2) is a chemical compound with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42116227, N-(3-chlorophenyl)-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H21ClN4O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.2816 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.10736 |
| Heavy Atoms | 28 |
| Complexity | 943.63367 |
Chemical Identifiers
| CAS Number | 665018-38-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/42116227 (CAS 665018-38-2), with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42116227
Property Insights of AN-698/42116227
The XLogP value of 4.2816 indicates that AN-698/42116227 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-698/42116227. Following Lipinski's Rule of Five, AN-698/42116227 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-698/42116227?
The CAS number of AN-698/42116227 is 665018-38-2.
What is the molecular formula of AN-698/42116227?
The molecular formula of AN-698/42116227 is C20H21ClN4O2S.
What is the molecular weight of AN-698/42116227?
The molecular weight of AN-698/42116227 is 416.11 g/mol.
Where can I buy AN-698/42116227?
You can request a quote for AN-698/42116227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116227?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.