AN-698/42116157
TL;DR: AN-698/42116157 (CAS 665018-30-4) is a chemical compound with molecular formula C17H16ClN5OS2 and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: AN-698/42116157, 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide, 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide, 2-{[4-AMINO-5-(4-CHLOROPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[3-(METHYLSULFANYL)PHENYL]ACETAMIDE
| Molecular Formula | C17H16ClN5OS2 |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 3.765 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.0485 |
| Heavy Atoms | 26 |
| Complexity | 913.7716 |
Chemical Identifiers
| CAS Number | 665018-30-4 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
Product Overview
AN-698/42116157 (CAS 665018-30-4), with molecular formula C17H16ClN5OS2 and molecular weight 405.05 g/mol. IUPAC: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of AN-698/42116157
Property Insights of AN-698/42116157
The XLogP value of 3.765 indicates that AN-698/42116157 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-698/42116157. Following Lipinski's Rule of Five, AN-698/42116157 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-698/42116157?
The CAS number of AN-698/42116157 is 665018-30-4.
What is the molecular formula of AN-698/42116157?
The molecular formula of AN-698/42116157 is C17H16ClN5OS2.
What is the molecular weight of AN-698/42116157?
The molecular weight of AN-698/42116157 is 405.05 g/mol.
Where can I buy AN-698/42116157?
You can request a quote for AN-698/42116157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116157?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.