3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine
TL;DR: 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine (CAS 21170-62-7) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl)ethanone
Also Known As: 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine, 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-isopropyl-, 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-lutidine, 1-(5-acetyl-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl)ethanone, 1,1 -(4-Isopropyl-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)bisethanone
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 21170-62-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C(C)C)C(=O)C |
| InChIKey | FLQGYNGSFPJLCS-UHFFFAOYSA-N |
Product Overview
3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine (CAS 21170-62-7), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: 1-(5-acetyl-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl)ethanone.
Chemical Property Profile of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine
Property Insights of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine. With a topological polar surface area (TPSA) of 46.2 Ų, 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine has 1 hydrogen bond donor(s) and 3 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-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine?
The CAS number of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine is 21170-62-7.
What is the molecular formula of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine?
The molecular formula of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine is C14H21NO2.
What is the molecular weight of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine?
The molecular weight of 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine is 235.16 g/mol.
Where can I buy 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine?
You can request a quote for 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine 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-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-1,4-dihydro-4-isopropyl-2,6-dimethylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.