1-Acetyl-4,6,8-trimethylazulene
TL;DR: 1-Acetyl-4,6,8-trimethylazulene (CAS 834-97-9) is a chemical compound with molecular formula C15H16O and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6,8-trimethylazulen-1-yl)ethanone
Also Known As: 1-Acetyl-4,6,8-trimethylazulene, 1-(4,6,8-trimethylazulen-1-yl)ethanone, 1-(4,6,8-Trimethyl-1-azulenyl)ethanone, 1-(4,6,8-trimethyl-1-azulenyl)-ethanone, 1-(4,6,8-Trimethylazulene-1-yl)ethanone
| Molecular Formula | C15H16O |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.12012 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 834-97-9 |
|---|---|
| SMILES | CC1=CC(=C2C=CC(=C2C(=C1)C)C(=O)C)C |
| InChIKey | JUOAKPCWAPSQLK-UHFFFAOYSA-N |
Product Overview
1-Acetyl-4,6,8-trimethylazulene (CAS 834-97-9), with molecular formula C15H16O and molecular weight 212.12 g/mol. IUPAC: 1-(4,6,8-trimethylazulen-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-4,6,8-trimethylazulene
Property Insights of 1-Acetyl-4,6,8-trimethylazulene
The XLogP value of 3.7 indicates that 1-Acetyl-4,6,8-trimethylazulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Acetyl-4,6,8-trimethylazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-4,6,8-trimethylazulene has 0 hydrogen bond donor(s) and 1 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 1-Acetyl-4,6,8-trimethylazulene?
The CAS number of 1-Acetyl-4,6,8-trimethylazulene is 834-97-9.
What is the molecular formula of 1-Acetyl-4,6,8-trimethylazulene?
The molecular formula of 1-Acetyl-4,6,8-trimethylazulene is C15H16O.
What is the molecular weight of 1-Acetyl-4,6,8-trimethylazulene?
The molecular weight of 1-Acetyl-4,6,8-trimethylazulene is 212.12 g/mol.
Where can I buy 1-Acetyl-4,6,8-trimethylazulene?
You can request a quote for 1-Acetyl-4,6,8-trimethylazulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4,6,8-trimethylazulene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4,6,8-trimethylazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.