![benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate structure](/static/products/3693/369394-55-8.webp)
benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate (CAS 369394-55-8) is a chemical compound with molecular formula C34H35N3O3S and molecular weight 565.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-6-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-4-(4-isopropylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate, Phenylmethyl 5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-4-[4-(1-methylethyl)phenyl]-3-pyridinecarboxylate
| Molecular Formula | C34H35N3O3S |
|---|---|
| Molecular Weight | 565.24 g/mol |
| LogP | 7.18368 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 565.2399 |
| Heavy Atoms | 41 |
| Complexity | 1484.9191 |
Chemical Identifiers
| CAS Number | 369394-55-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C#N |
Product Overview
benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate (CAS 369394-55-8), with molecular formula C34H35N3O3S and molecular weight 565.24 g/mol. IUPAC: benzyl 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
The XLogP value of 7.18368 indicates that benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate is 369394-55-8.
What is the molecular formula of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate is C34H35N3O3S.
What is the molecular weight of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate is 565.24 g/mol.
Where can I buy benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.