![Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate structure](/static/products/883/883265-63-2.png)
Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate
TL;DR: Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate (CAS 883265-63-2) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
Also Known As: VU0509519-1, F3120-0052, ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate, ETHYL 4-{2-[(3-CYANO-6-METHYLPYRIDIN-2-YL)SULFANYL]ACETAMIDO}BENZOATE, ethyl 4-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.1692 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 813.3063 |
Chemical Identifiers
| CAS Number | 883265-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C)C#N |
Product Overview
Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate (CAS 883265-63-2), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: ethyl 4-[[2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate
Property Insights of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate
The XLogP value of 3.1692 indicates that Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)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 Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)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-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate?
The CAS number of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate is 883265-63-2.
What is the molecular formula of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate?
The molecular formula of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate is C18H17N3O3S.
What is the molecular weight of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate?
The molecular weight of Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate is 355.10 g/mol.
Where can I buy Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate?
You can request a quote for Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)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-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(3-cyano-6-methyl-2-pyridylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.