AN-698/42116124
TL;DR: AN-698/42116124 (CAS 665018-26-8) is a chemical compound with molecular formula C22H25N5O2S2 and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
Also Known As: AN-698/42116124, N-({4-ethyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methylbenzamide, N-[[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide, N-{[4-ethyl-5-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
| Molecular Formula | C22H25N5O2S2 |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 3.98912 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.14496 |
| Heavy Atoms | 31 |
| Complexity | 1050.3098 |
Chemical Identifiers
| CAS Number | 665018-26-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)CNC(=O)C3=CC=C(C=C3)C |
Product Overview
AN-698/42116124 (CAS 665018-26-8), with molecular formula C22H25N5O2S2 and molecular weight 455.14 g/mol. IUPAC: N-[[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide.
Chemical Property Profile of AN-698/42116124
Property Insights of AN-698/42116124
The XLogP value of 3.98912 indicates that AN-698/42116124 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-698/42116124. Following Lipinski's Rule of Five, AN-698/42116124 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-698/42116124?
The CAS number of AN-698/42116124 is 665018-26-8.
What is the molecular formula of AN-698/42116124?
The molecular formula of AN-698/42116124 is C22H25N5O2S2.
What is the molecular weight of AN-698/42116124?
The molecular weight of AN-698/42116124 is 455.14 g/mol.
Where can I buy AN-698/42116124?
You can request a quote for AN-698/42116124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116124?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.