Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate
TL;DR: Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate (CAS 213411-84-8) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetate
Also Known As: ChemDiv1_010195, Arsonium,bromotrimethyl-,bromide, BAS 01118091, Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate, methyl {[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}acetate
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.56098 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1012.447 |
Chemical Identifiers
| CAS Number | 213411-84-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC)C3=CC=CC=C3 |
Product Overview
Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate (CAS 213411-84-8), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: methyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate
Property Insights of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate
The XLogP value of 4.56098 indicates that Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate has 0 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 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate?
The CAS number of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate is 213411-84-8.
What is the molecular formula of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate?
The molecular formula of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate is C22H18N2O3S.
What is the molecular weight of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate?
The molecular weight of Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate is 390.10 g/mol.
Where can I buy Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate?
You can request a quote for Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.