diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 423144-93-8) is a chemical compound with molecular formula C23H24ClNO4S and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[(4-chlorophenyl)methyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
Also Known As: diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, Diethyl 1-[(4-chlorophenyl)methyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIETHYL 1-[(4-CHLOROPHENYL)METHYL]-4-(5-METHYLTHIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, ethyl 1-[(4-chlorophenyl)methyl]-5-(ethoxycarbonyl)-4-(5-methyl(2-thienyl))-1, 4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H24ClNO4S |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 5.20332 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.11145 |
| Heavy Atoms | 30 |
| Complexity | 941.34424 |
Chemical Identifiers
| CAS Number | 423144-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=C(C1C2=CC=C(S2)C)C(=O)OCC)CC3=CC=C(C=C3)Cl |
Product Overview
diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 423144-93-8), with molecular formula C23H24ClNO4S and molecular weight 445.11 g/mol. IUPAC: diethyl 1-[(4-chlorophenyl)methyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 5.20332 indicates that diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 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 diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 423144-93-8.
What is the molecular formula of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is C23H24ClNO4S.
What is the molecular weight of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 445.11 g/mol.
Where can I buy diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-(4-chlorobenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.