AN-698/41932490
TL;DR: AN-698/41932490 (CAS 665017-44-7) is a chemical compound with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-698/41932490, ethyl 4-[({[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, F2715-0417, ethyl 4-(2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C19H18ClN5O3S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 3.2198 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.08188 |
| Heavy Atoms | 29 |
| Complexity | 1005.689 |
Chemical Identifiers
| CAS Number | 665017-44-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
Product Overview
AN-698/41932490 (CAS 665017-44-7), with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol. IUPAC: ethyl 4-[[2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-698/41932490
Property Insights of AN-698/41932490
The XLogP value of 3.2198 indicates that AN-698/41932490 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41932490. Following Lipinski's Rule of Five, AN-698/41932490 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-698/41932490?
The CAS number of AN-698/41932490 is 665017-44-7.
What is the molecular formula of AN-698/41932490?
The molecular formula of AN-698/41932490 is C19H18ClN5O3S.
What is the molecular weight of AN-698/41932490?
The molecular weight of AN-698/41932490 is 431.08 g/mol.
Where can I buy AN-698/41932490?
You can request a quote for AN-698/41932490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41932490?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41932490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.