Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate
TL;DR: Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate (CAS 306980-26-7) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenylpyridine-3-carboxylate
Also Known As: 12K-378S, Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate, ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenylpyridine-3-carboxylate, ethyl 5-cyano-6-{[2-(methoxycarbonyl)phenyl]sulfanyl}-2-phenylpyridine-3-carboxylate, ethyl 5-cyano-6-{[2-(methoxycarbonyl)phenyl]sulfanyl}-2-phenylnicotinate
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 4.73478 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1123.7922 |
Chemical Identifiers
| CAS Number | 306980-26-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3 |
Product Overview
Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate (CAS 306980-26-7), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: ethyl 5-cyano-6-(2-methoxycarbonylphenyl)sulfanyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate
Property Insights of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate
The XLogP value of 4.73478 indicates that Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate has 0 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 Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate?
The CAS number of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate is 306980-26-7.
What is the molecular formula of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate?
The molecular formula of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate is C23H18N2O4S.
What is the molecular weight of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate?
The molecular weight of Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate is 418.10 g/mol.
Where can I buy Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate?
You can request a quote for Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate 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-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-((2-(methoxycarbonyl)phenyl)sulfanyl)-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.