AN-698/42116293
TL;DR: AN-698/42116293 (CAS 665018-41-7) is a chemical compound with molecular formula C18H19ClN6O2S2 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: AN-698/42116293, 4-chloro-N-[1-(4-ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide, 4-chloro-N-[1-[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C18H19ClN6O2S2 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 3.6297 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.06995 |
| Heavy Atoms | 29 |
| Complexity | 974.9151 |
Chemical Identifiers
| CAS Number | 665018-41-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C(C)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AN-698/42116293 (CAS 665018-41-7), with molecular formula C18H19ClN6O2S2 and molecular weight 450.07 g/mol. IUPAC: 4-chloro-N-[1-[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of AN-698/42116293
Property Insights of AN-698/42116293
The XLogP value of 3.6297 indicates that AN-698/42116293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116293. Following Lipinski's Rule of Five, AN-698/42116293 has 2 hydrogen bond donor(s) and 7 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-698/42116293?
The CAS number of AN-698/42116293 is 665018-41-7.
What is the molecular formula of AN-698/42116293?
The molecular formula of AN-698/42116293 is C18H19ClN6O2S2.
What is the molecular weight of AN-698/42116293?
The molecular weight of AN-698/42116293 is 450.07 g/mol.
Where can I buy AN-698/42116293?
You can request a quote for AN-698/42116293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116293?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.