Vetivert acetate
TL;DR: Vetivert acetate (CAS 117-98-6) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
Also Known As: Vetiveryl acetate, Vetivert acetate, Vetiver acetate, Vetiverol, acetate, acetylated
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
| Solubility | Practically insoluble to insoluble in water |
Chemical Identifiers
| CAS Number | 117-98-6 |
|---|---|
| SMILES | CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC(=O)C |
| InChIKey | UAVFEMBKDRODDE-UHFFFAOYSA-N |
Product Overview
Vetivert acetate (CAS 117-98-6), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate.
Chemical Property Profile of Vetivert acetate
Property Insights of Vetivert acetate
The XLogP value of 3.6 indicates that Vetivert acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Vetivert acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vetivert acetate 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 Vetivert acetate?
The CAS number of Vetivert acetate is 117-98-6.
What is the molecular formula of Vetivert acetate?
The molecular formula of Vetivert acetate is C17H26O2.
What is the molecular weight of Vetivert acetate?
The molecular weight of Vetivert acetate is 262.19 g/mol.
Where can I buy Vetivert acetate?
You can request a quote for Vetivert acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vetivert acetate?
Yes, KEHONG BIO provides custom synthesis services for Vetivert acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.