Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate
TL;DR: Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate (CAS 306980-00-7) 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.
ethyl 5-cyano-2-phenyl-6-phenylsulfanylpyridine-3-carboxylate
Also Known As: Bionet1_002293, ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate, 12K-327S, ethyl 5-cyano-2-phenyl-6-phenylsulfanylpyridine-3-carboxylate, ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C21H16N2O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 4.94818 |
| 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 | 306980-00-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate (CAS 306980-00-7), with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol. IUPAC: ethyl 5-cyano-2-phenyl-6-phenylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate
Property Insights of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate
The XLogP value of 4.94818 indicates that Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate 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 Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate 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 Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate?
The CAS number of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate is 306980-00-7.
What is the molecular formula of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate?
The molecular formula of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate is C21H16N2O2S.
What is the molecular weight of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate?
The molecular weight of Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate is 360.09 g/mol.
Where can I buy Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate?
You can request a quote for Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2-phenyl-6-(phenylsulfanyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.