Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 20970-69-8) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate, 3-acetyl-5-ethoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine, 5-Acetyl-1,4-dihydro-2,6-dimethyl-4-phenylnicotinic acid ethyl ester, Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydro-3-pyridinecarboxylate, Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydro-3-pyridinecarboxylate #
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 20970-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)C)C)C |
| InChIKey | ZUWFHCIZNKCXND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 20970-69-8), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is 20970-69-8.
What is the molecular formula of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is C18H21NO3.
What is the molecular weight of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is 299.15 g/mol.
Where can I buy Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.