alpha-Vetivone
TL;DR: alpha-Vetivone (CAS 15764-04-2) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5,7,8-tetrahydro-3H-naphthalen-2-one
Also Known As: alpha-Vetivone, Isonootkatone, Isonootkaton, .alpha.-Vetivone, a-Vetivone
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 15764-04-2 |
|---|---|
| SMILES | C[C@@H]1CC(=O)C=C2[C@]1(CC(=C(C)C)CC2)C |
| InChIKey | NIIPDXITZPFFTE-ABAIWWIYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Vetivone (CAS 15764-04-2), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5,7,8-tetrahydro-3H-naphthalen-2-one.
Chemical Property Profile of alpha-Vetivone
Property Insights of alpha-Vetivone
The XLogP value of 3.1 indicates that alpha-Vetivone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, alpha-Vetivone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Vetivone 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 alpha-Vetivone?
The CAS number of alpha-Vetivone is 15764-04-2.
What is the molecular formula of alpha-Vetivone?
The molecular formula of alpha-Vetivone is C15H22O.
What is the molecular weight of alpha-Vetivone?
The molecular weight of alpha-Vetivone is 218.17 g/mol.
Where can I buy alpha-Vetivone?
You can request a quote for alpha-Vetivone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Vetivone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Vetivone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.