![Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate structure](/static/products/7102/710287-41-5.webp)
Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate
TL;DR: Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate (CAS 710287-41-5) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate, ethyl 4-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate, F1625-0037, ethyl 4-(2-((3-methylquinoxalin-2-yl)thio)acetamido)benzoate, ETHYL 4-{2-[(3-METHYLQUINOXALIN-2-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.84572 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 973.8728 |
Chemical Identifiers
| CAS Number | 710287-41-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2C |
Product Overview
Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate (CAS 710287-41-5), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: ethyl 4-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate
Property Insights of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate
The XLogP value of 3.84572 indicates that Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate has 1 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 Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate?
The CAS number of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate is 710287-41-5.
What is the molecular formula of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate?
The molecular formula of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate is C20H19N3O3S.
What is the molecular weight of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate?
The molecular weight of Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate is 381.11 g/mol.
Where can I buy Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate?
You can request a quote for Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(3-methylquinoxalin-2-ylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.