1-Methylazulene
TL;DR: 1-Methylazulene (CAS 769-31-3) is a chemical compound with molecular formula CC1=C2C=CC=CC=C2C=C1 and molecular weight 142.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylazulene
Also Known As: 1-Methylazulene, methylazulene, Methylazulen, 3-Methylazulene, Azulene,1-methyl-
| Molecular Formula | CC1=C2C=CC=CC=C2C=C1 |
|---|---|
| Molecular Weight | 142.08 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 | 142.07825 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 769-31-3 |
|---|---|
| SMILES | CC1=C2C=CC=CC=C2C=C1 |
| InChIKey | WSQIUQGZWDQMEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylazulene (CAS 769-31-3), with molecular formula CC1=C2C=CC=CC=C2C=C1 and molecular weight 142.08 g/mol. IUPAC: 1-methylazulene.
Chemical Property Profile of 1-Methylazulene
Property Insights of 1-Methylazulene
The XLogP value of 4.0 indicates that 1-Methylazulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methylazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylazulene 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 1-Methylazulene?
The CAS number of 1-Methylazulene is 769-31-3.
What is the molecular formula of 1-Methylazulene?
The molecular formula of 1-Methylazulene is CC1=C2C=CC=CC=C2C=C1.
What is the molecular weight of 1-Methylazulene?
The molecular weight of 1-Methylazulene is 142.08 g/mol.
Where can I buy 1-Methylazulene?
You can request a quote for 1-Methylazulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylazulene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.