Verbenyl acetate
TL;DR: Verbenyl acetate (CAS 33522-69-9) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
Also Known As: Verbenyl acetate, verbenolacetate, cis-Verbenyl acetate, 4-Acetoxypin-2-ene, trans-Verbenyl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 33522-69-9 |
|---|---|
| SMILES | CC1=CC(C2CC1C2(C)C)OC(=O)C |
| InChIKey | OZBFUQLOVFXDNK-UHFFFAOYSA-N |
Product Overview
Verbenyl acetate (CAS 33522-69-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate.
Chemical Property Profile of Verbenyl acetate
Property Insights of Verbenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verbenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Verbenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Verbenyl 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 Verbenyl acetate?
The CAS number of Verbenyl acetate is 33522-69-9.
What is the molecular formula of Verbenyl acetate?
The molecular formula of Verbenyl acetate is C12H18O2.
What is the molecular weight of Verbenyl acetate?
The molecular weight of Verbenyl acetate is 194.13 g/mol.
Where can I buy Verbenyl acetate?
You can request a quote for Verbenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verbenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Verbenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.