3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester (CAS 59880-30-7) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-prop-2-enyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester, Ethyl Prop-2-enyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-O-ethyl 5-O-prop-2-enyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl prop-2-en-1-yl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066031
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.8671 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 794.75586 |
Chemical Identifiers
| CAS Number | 59880-30-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC=C)C)C |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester (CAS 59880-30-7), with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester
The XLogP value of 3.8671 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester has 1 hydrogen bond donor(s) and 5 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester is 59880-30-7.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester is C20H22ClNO4.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester is 375.12 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.