Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 56820-25-8) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, BAS 04377954, BIM-0022036.P001, 4-p-Tolyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester, A2380/0100663
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 56820-25-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC |
| InChIKey | MISZQNZAFAWTLC-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 56820-25-8), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate 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 Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 56820-25-8.
What is the molecular formula of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C16H17NO4.
What is the molecular weight of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 287.12 g/mol.
Where can I buy Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for Dimethyl 4-(4-methylphenyl)-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 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.