Acetyl-beta-caryophyllene
TL;DR: Acetyl-beta-caryophyllene (CAS 70801-04-6) is a chemical compound with molecular formula C16H26O and molecular weight 234.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,3S,4E,8R,9S,11R)-4,8,11-trimethyl-3-bicyclo[7.2.0]undec-4-enyl]ethanone
Also Known As: Acetyl-beta-caryophyllene, Ethanone, 1-((1R,4E,9R)-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-enyl)-, Ethanone, 1-[(1R,4E,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-enyl]-, 1-[(1S,2R,5E,7S,9R,10R)-2,6,10-trimethyl-7-bicyclo[7.2.0]undec-5-enyl]ethanone, Ethanone, 1-(4,11,11,-trimethyl-8-methylenebicyclo[7.2.0]undec-4-enyl)-[1R-(1a,4E,9b]
| Molecular Formula | C16H26O |
|---|---|
| Molecular Weight | 234.20 g/mol |
| LogP | 4.2301 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.19836 |
| Heavy Atoms | 17 |
| Complexity | 328.41687 |
Chemical Identifiers
| CAS Number | 70801-04-6 |
|---|---|
| SMILES | C[C@@H]1CC/C=C(/[C@H](C[C@H]2[C@H]1C[C@H]2C)C(=O)C)\C |
Product Overview
Acetyl-beta-caryophyllene (CAS 70801-04-6), with molecular formula C16H26O and molecular weight 234.20 g/mol. IUPAC: 1-[(1R,3S,4E,8R,9S,11R)-4,8,11-trimethyl-3-bicyclo[7.2.0]undec-4-enyl]ethanone.
Chemical Property Profile of Acetyl-beta-caryophyllene
Property Insights of Acetyl-beta-caryophyllene
The XLogP value of 4.2301 indicates that Acetyl-beta-caryophyllene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Acetyl-beta-caryophyllene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-beta-caryophyllene 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 Acetyl-beta-caryophyllene?
The CAS number of Acetyl-beta-caryophyllene is 70801-04-6.
What is the molecular formula of Acetyl-beta-caryophyllene?
The molecular formula of Acetyl-beta-caryophyllene is C16H26O.
What is the molecular weight of Acetyl-beta-caryophyllene?
The molecular weight of Acetyl-beta-caryophyllene is 234.20 g/mol.
Where can I buy Acetyl-beta-caryophyllene?
You can request a quote for Acetyl-beta-caryophyllene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-beta-caryophyllene?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-beta-caryophyllene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.