Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
TL;DR: Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (CAS 94266-06-5) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: EINECS 304-412-4, Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate, AE-842/30158037, diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, diethyl 4-butyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 94266-06-5 |
|---|---|
| SMILES | CCCCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC |
| InChIKey | ZGAVXRFBMMMOJP-UHFFFAOYSA-N |
Product Overview
Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (CAS 94266-06-5), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
Property Insights of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
The XLogP value of 3.8 indicates that Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate 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 Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-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 Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The CAS number of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is 94266-06-5.
What is the molecular formula of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The molecular formula of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is C17H27NO4.
What is the molecular weight of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The molecular weight of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is 309.19 g/mol.
Where can I buy Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
You can request a quote for Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-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 Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.