3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
TL;DR: 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid (CAS 27296-06-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
Also Known As: 3,5-diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic Acid, 2,6-Dimethyl-3,5-diacetyl-1,4-dihydroisonicotinic acid, 4-Pyridinecarboxylic acid, 3,5-diacetyl-1,4-dihydro-2,6-dimethyl-, 3,5-diacetyl-2,6-dimethyl-1,4-dihydroisonicotinic acid, RefChem:91409
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 27296-06-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C(=O)O)C(=O)C |
| InChIKey | FWQMVTACSLVNOW-UHFFFAOYSA-N |
Product Overview
3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid (CAS 27296-06-6), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 3,5-diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid.
Chemical Property Profile of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
Property Insights of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid. Following Lipinski's Rule of Five, 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid has 2 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-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid?
The CAS number of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid is 27296-06-6.
What is the molecular formula of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid?
The molecular formula of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid is C12H15NO4.
What is the molecular weight of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid?
The molecular weight of 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid is 237.10 g/mol.
Where can I buy 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid?
You can request a quote for 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.