2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester
TL;DR: 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester (CAS 174074-02-3) is a chemical compound with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanedioate
Also Known As: BAS 00851101, 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester, diethyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanedioate
| Molecular Formula | C25H22N2O4S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.87418 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.13004 |
| Heavy Atoms | 32 |
| Complexity | 1109.929 |
Chemical Identifiers
| CAS Number | 174074-02-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester (CAS 174074-02-3), with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol. IUPAC: diethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanedioate.
Chemical Property Profile of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester
Property Insights of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester
The XLogP value of 4.87418 indicates that 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester 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 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester. Following Lipinski's Rule of Five, 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester 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 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester?
The CAS number of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester is 174074-02-3.
What is the molecular formula of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester?
The molecular formula of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester is C25H22N2O4S.
What is the molecular weight of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester?
The molecular weight of 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester is 446.13 g/mol.
Where can I buy 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester?
You can request a quote for 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-malonic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.