![(4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate structure](/static/products/6234/62346-20-7.webp)
(4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate
TL;DR: (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate (CAS 62346-20-7) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,11,11-trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate
Also Known As: BUDDLEDIN A, (6,10,10-trimethyl-2-methylidene-7-oxo-8-bicyclo[7.2.0]undec-5-enyl) acetate, [(1R,2R,4Z,9S)-4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl] acetate
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 62346-20-7 |
|---|---|
| SMILES | CC1=CCCC(=C)C2CC(C2C(C1=O)OC(=O)C)(C)C |
| InChIKey | SXWKLEULMBLXJM-UHFFFAOYSA-N |
Product Overview
(4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate (CAS 62346-20-7), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: (4,11,11-trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate.
Chemical Property Profile of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate
Property Insights of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate
The XLogP value of 3.5 indicates that (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate has 0 hydrogen bond donor(s) and 3 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 (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate?
The CAS number of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate is 62346-20-7.
What is the molecular formula of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate?
The molecular formula of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate is C17H24O3.
What is the molecular weight of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate?
The molecular weight of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate is 276.17 g/mol.
Where can I buy (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate?
You can request a quote for (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.