![Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate structure](/static/products/3513/351360-62-8.webp)
Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate
TL;DR: Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate (CAS 351360-62-8) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: BAS 02538828, Methyl 4-[[2-[(3-cyano-8-methyl-2-quinolinyl)thio]acetyl]amino]benzoate, methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate, methyl 4-({[(3-cyano-8-methylquinolin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.9323 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1088.4863 |
Chemical Identifiers
| CAS Number | 351360-62-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C#N |
Product Overview
Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate (CAS 351360-62-8), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: methyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate
Property Insights of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate
The XLogP value of 3.9323 indicates that Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)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 Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate?
The CAS number of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate is 351360-62-8.
What is the molecular formula of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate?
The molecular formula of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate is C21H17N3O3S.
What is the molecular weight of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate?
The molecular weight of Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate is 391.10 g/mol.
Where can I buy Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate?
You can request a quote for Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(3-cyano-8-methyl-2-quinolylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.