tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 370851-48-2) is a chemical compound with molecular formula C28H30ClN3O3S and molecular weight 523.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, tert-butyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H30ClN3O3S |
|---|---|
| Molecular Weight | 523.17 g/mol |
| LogP | 6.31198 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1696 |
| Heavy Atoms | 36 |
| Complexity | 1254.0364 |
Chemical Identifiers
| CAS Number | 370851-48-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C#N |
Product Overview
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 370851-48-2), with molecular formula C28H30ClN3O3S and molecular weight 523.17 g/mol. IUPAC: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.31198 indicates that tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-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 tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-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 tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 370851-48-2.
What is the molecular formula of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is C28H30ClN3O3S.
What is the molecular weight of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 523.17 g/mol.
Where can I buy tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-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 tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.