3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate
TL;DR: 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate (CAS 1539-57-7) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 4-benzyl-1,4-dihydro-2,6-dimethyl-, diethyl ester, 1-22-00-00539 (Beilstein Handbook Reference), 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-, diethyl ester, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-benzyl-2,6-dimethyl-, diethyl ester
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 1539-57-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1CC2=CC=CC=C2)C(=O)OCC)C)C |
| InChIKey | JHHPUDNXDLHTHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate (CAS 1539-57-7), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate
Property Insights of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate
The XLogP value of 3.6 indicates that 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate 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-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate?
The CAS number of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate is 1539-57-7.
What is the molecular formula of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate?
The molecular formula of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate is C20H25NO4.
What is the molecular weight of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate?
The molecular weight of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate is 343.18 g/mol.
Where can I buy 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate?
You can request a quote for 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.