AN-698/42116410
TL;DR: AN-698/42116410 (CAS 713098-34-1) is a chemical compound with molecular formula C21H22ClN5O2S2 and molecular weight 475.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: AN-698/42116410, 4-chloro-N-(1-{4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide, 4-chloro-N-[1-[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide, 4-chloro-N-{1-[4-methyl-5-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
| Molecular Formula | C21H22ClN5O2S2 |
|---|---|
| Molecular Weight | 475.09 g/mol |
| LogP | 4.4122 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.09033 |
| Heavy Atoms | 31 |
| Complexity | 1071.887 |
Chemical Identifiers
| CAS Number | 713098-34-1 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AN-698/42116410 (CAS 713098-34-1), with molecular formula C21H22ClN5O2S2 and molecular weight 475.09 g/mol. IUPAC: 4-chloro-N-[1-[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of AN-698/42116410
Property Insights of AN-698/42116410
The XLogP value of 4.4122 indicates that AN-698/42116410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116410. Following Lipinski's Rule of Five, AN-698/42116410 has 2 hydrogen bond donor(s) and 6 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-698/42116410?
The CAS number of AN-698/42116410 is 713098-34-1.
What is the molecular formula of AN-698/42116410?
The molecular formula of AN-698/42116410 is C21H22ClN5O2S2.
What is the molecular weight of AN-698/42116410?
The molecular weight of AN-698/42116410 is 475.09 g/mol.
Where can I buy AN-698/42116410?
You can request a quote for AN-698/42116410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116410?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.