2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
TL;DR: 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine (CAS 208102-57-2) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethanone
Also Known As: Ethanone,1- -, 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine, 1-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethanone, 1-(3-Methyl-3,4,5,6-tetrahydro-2-pyridinyl)ethanone #, 1-(3-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethan-1-one
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 208102-57-2 |
|---|---|
| SMILES | CC1CCCN=C1C(=O)C |
| InChIKey | JVZLPEDBXLQRIU-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine (CAS 208102-57-2), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 1-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
Property Insights of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine has 0 hydrogen bond donor(s) and 2 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 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine?
The CAS number of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine is 208102-57-2.
What is the molecular formula of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine?
The molecular formula of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine is C8H13NO.
What is the molecular weight of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine?
The molecular weight of 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine is 139.10 g/mol.
Where can I buy 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine?
You can request a quote for 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.