4,6,8-Trimethylazulene
TL;DR: 4,6,8-Trimethylazulene (CAS 941-81-1) is a chemical compound with molecular formula C13H14 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,8-trimethylazulene
Also Known As: 4,6,8-Trimethylazulene, Azulene, 4,6,8-trimethyl-, 4,8-Trimethylazulene, Azulene,6,8-trimethyl-, 4,6,8-trimethyl-azulene
| Molecular Formula | C13H14 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.10954 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 941-81-1 |
|---|---|
| SMILES | CC1=CC(=C2C=CC=C2C(=C1)C)C |
| InChIKey | RUNBRXWUHPOTOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6,8-Trimethylazulene (CAS 941-81-1), with molecular formula C13H14 and molecular weight 170.11 g/mol. IUPAC: 4,6,8-trimethylazulene.
Chemical Property Profile of 4,6,8-Trimethylazulene
Property Insights of 4,6,8-Trimethylazulene
The XLogP value of 4.0 indicates that 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 0.0 Ų, 4,6,8-Trimethylazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,8-Trimethylazulene has 0 hydrogen bond donor(s) and 0 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 4,6,8-Trimethylazulene?
The CAS number of 4,6,8-Trimethylazulene is 941-81-1.
What is the molecular formula of 4,6,8-Trimethylazulene?
The molecular formula of 4,6,8-Trimethylazulene is C13H14.
What is the molecular weight of 4,6,8-Trimethylazulene?
The molecular weight of 4,6,8-Trimethylazulene is 170.11 g/mol.
Where can I buy 4,6,8-Trimethylazulene?
You can request a quote for 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 4,6,8-Trimethylazulene?
Yes, KEHONG BIO provides custom synthesis services for 4,6,8-Trimethylazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.