methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate
TL;DR: methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate (CAS 312757-93-0) is a chemical compound with molecular formula C19H13BrN2O2S2 and molecular weight 443.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-(4-bromophenyl)-3-cyano-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
Also Known As: methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate, methyl {[6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate, methyl 2-[6-(4-bromophenyl)-3-cyano-4-thiophen-2-ylpyridin-2-yl]sulfanylacetate, methyl 2-{[6-(4-bromophenyl)-4-(thiophen-2-yl)-3-cyanopyridine-2-yl]sulfanyl}acetate
| Molecular Formula | C19H13BrN2O2S2 |
|---|---|
| Molecular Weight | 443.96 g/mol |
| LogP | 5.37638 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.96017 |
| Heavy Atoms | 26 |
| Complexity | 964.44934 |
Chemical Identifiers
| CAS Number | 312757-93-0 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CS3)C#N |
Product Overview
methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate (CAS 312757-93-0), with molecular formula C19H13BrN2O2S2 and molecular weight 443.96 g/mol. IUPAC: methyl 2-[[6-(4-bromophenyl)-3-cyano-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate
Property Insights of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate
The XLogP value of 5.37638 indicates that methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-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-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 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-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate?
The CAS number of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate is 312757-93-0.
What is the molecular formula of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate?
The molecular formula of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate is C19H13BrN2O2S2.
What is the molecular weight of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate?
The molecular weight of methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate is 443.96 g/mol.
Where can I buy methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate?
You can request a quote for methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-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-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((6-(4-bromophenyl)-3-cyano-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.