Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
TL;DR: Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate (CAS 332385-72-5) is a chemical compound with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01541878, Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate, methyl 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetate, Methyl2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate, [4,6-Bis-(4-chloro-phenyl)-3-cyano-pyridin-2-ylsulfanyl]-acetic acid methyl ester
| Molecular Formula | C21H14Cl2N2O2S |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 5.85918 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0153 |
| Heavy Atoms | 28 |
| Complexity | 1045.741 |
Chemical Identifiers
| CAS Number | 332385-72-5 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N |
Product Overview
Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate (CAS 332385-72-5), with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol. IUPAC: methyl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
Property Insights of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
The XLogP value of 5.85918 indicates that Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate 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 Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The CAS number of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is 332385-72-5.
What is the molecular formula of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular formula of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is C21H14Cl2N2O2S.
What is the molecular weight of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular weight of Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is 428.02 g/mol.
Where can I buy Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
You can request a quote for Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-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-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.