tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 384357-89-5) is a chemical compound with molecular formula C26H25ClN2O3S and molecular weight 480.13 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-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate, tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate, tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H25ClN2O3S |
|---|---|
| Molecular Weight | 480.13 g/mol |
| LogP | 5.99378 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.12744 |
| Heavy Atoms | 33 |
| Complexity | 1156.7634 |
Chemical Identifiers
| CAS Number | 384357-89-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 384357-89-5), with molecular formula C26H25ClN2O3S and molecular weight 480.13 g/mol. IUPAC: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.99378 indicates that tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate has 1 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-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is 384357-89-5.
What is the molecular formula of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is C26H25ClN2O3S.
What is the molecular weight of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate is 480.13 g/mol.
Where can I buy tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-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-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.