Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate
TL;DR: Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate (CAS 383159-63-5) is a chemical compound with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
Also Known As: phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate, phenyl 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylacetate, Phenyl 2-(6-amino-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylacetate
| Molecular Formula | C21H14N4O2S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.77186 |
| Topological Polar Surface Area | 112.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08374 |
| Heavy Atoms | 28 |
| Complexity | 1087.3738 |
Chemical Identifiers
| CAS Number | 383159-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)OC3=CC=CC=C3)N)C#N |
Product Overview
Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate (CAS 383159-63-5), with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol. IUPAC: phenyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate
Property Insights of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate
The XLogP value of 3.77186 indicates that Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 7 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 Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate?
The CAS number of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate is 383159-63-5.
What is the molecular formula of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate?
The molecular formula of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate is C21H14N4O2S.
What is the molecular weight of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate?
The molecular weight of Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate is 386.08 g/mol.
Where can I buy Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate?
You can request a quote for Phenyl 2-((6-amino-3,5-dicyano-4-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 Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-((6-amino-3,5-dicyano-4-phenylpyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.