AN-698/41932722
TL;DR: AN-698/41932722 (CAS 665017-47-0) is a chemical compound with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
Also Known As: AN-698/41932722, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide, 2-{[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide, 2-((4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(1-phenylethyl)acetamide
| Molecular Formula | C18H18ClN5OS |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 3.2818 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.09207 |
| Heavy Atoms | 26 |
| Complexity | 899.60693 |
Chemical Identifiers
| CAS Number | 665017-47-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl |
Product Overview
AN-698/41932722 (CAS 665017-47-0), with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol. IUPAC: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
Chemical Property Profile of AN-698/41932722
Property Insights of AN-698/41932722
The XLogP value of 3.2818 indicates that AN-698/41932722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41932722. Following Lipinski's Rule of Five, AN-698/41932722 has 2 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-698/41932722?
The CAS number of AN-698/41932722 is 665017-47-0.
What is the molecular formula of AN-698/41932722?
The molecular formula of AN-698/41932722 is C18H18ClN5OS.
What is the molecular weight of AN-698/41932722?
The molecular weight of AN-698/41932722 is 387.09 g/mol.
Where can I buy AN-698/41932722?
You can request a quote for AN-698/41932722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41932722?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41932722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.