allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799807-39-9) is a chemical compound with molecular formula C28H23ClN2O2S and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(naphthalen-1-ylmethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H23ClN2O2S |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 6.85178 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.11688 |
| Heavy Atoms | 34 |
| Complexity | 1364.8287 |
Chemical Identifiers
| CAS Number | 799807-39-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=CC3=CC=CC=C32)C#N)C4=CC=CC=C4Cl)C(=O)OCC=C |
Product Overview
allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799807-39-9), with molecular formula C28H23ClN2O2S and molecular weight 486.12 g/mol. IUPAC: prop-2-enyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 6.85178 indicates that allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate is 799807-39-9.
What is the molecular formula of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate is C28H23ClN2O2S.
What is the molecular weight of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate is 486.12 g/mol.
Where can I buy allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)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 allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((naphthalen-1-ylmethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.