Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate
TL;DR: Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate (CAS 306980-02-9) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(4-methoxyphenyl)sulfanyl-2-phenylpyridine-3-carboxylate
Also Known As: Bionet1_002297, 12K-329S, Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate, ethyl 5-cyano-6-(4-methoxyphenyl)sulfanyl-2-phenylpyridine-3-carboxylate, ethyl 5-cyano-6-[(4-methoxyphenyl)sulfanyl]-2-phenylnicotinate
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.95678 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1012.447 |
Chemical Identifiers
| CAS Number | 306980-02-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate (CAS 306980-02-9), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: ethyl 5-cyano-6-(4-methoxyphenyl)sulfanyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate
Property Insights of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate
The XLogP value of 4.95678 indicates that Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate has 0 hydrogen bond donor(s) and 6 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-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate?
The CAS number of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate is 306980-02-9.
What is the molecular formula of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate?
The molecular formula of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate is C22H18N2O3S.
What is the molecular weight of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate?
The molecular weight of Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate is 390.10 g/mol.
Where can I buy Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate?
You can request a quote for Ethyl 5-cyano-6-((4-methoxyphenyl)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-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-((4-methoxyphenyl)sulfanyl)-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.