dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 694452-69-2) is a chemical compound with molecular formula C20H18ClNO4S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(3-chloro-4-methylphenyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-(3-chloro-4-methylphenyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate, methyl 1-(3-chloro-4-methylphenyl)-5-(methoxycarbonyl)-4-(2-thienyl)-1,4-dihyd ropyridine-3-carboxylate
| Molecular Formula | C20H18ClNO4S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.42752 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0645 |
| Heavy Atoms | 27 |
| Complexity | 899.46326 |
Chemical Identifiers
| CAS Number | 694452-69-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC=CS3)C(=O)OC)Cl |
Product Overview
dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 694452-69-2), with molecular formula C20H18ClNO4S and molecular weight 403.06 g/mol. IUPAC: dimethyl 1-(3-chloro-4-methylphenyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.42752 indicates that dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-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, dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 694452-69-2.
What is the molecular formula of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is C20H18ClNO4S.
What is the molecular weight of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 403.06 g/mol.
Where can I buy dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-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 dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.