(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
TL;DR: (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester (CAS 78564-30-4) is a chemical compound with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate
Also Known As: TimTec1_002615, BAS 01094790, (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester, Methyl [(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate, methyl 2-(3-cyano-4,6-diphenyl-2-pyridylthio)acetate
| Molecular Formula | C21H16N2O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 4.55238 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.09326 |
| Heavy Atoms | 26 |
| Complexity | 950.9951 |
Chemical Identifiers
| CAS Number | 78564-30-4 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester (CAS 78564-30-4), with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol. IUPAC: methyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
Property Insights of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
The XLogP value of 4.55238 indicates that (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The CAS number of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is 78564-30-4.
What is the molecular formula of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The molecular formula of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is C21H16N2O2S.
What is the molecular weight of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The molecular weight of (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is 360.09 g/mol.
Where can I buy (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
You can request a quote for (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.