![2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one structure](/static/products/681/681477-84-9.png)
2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
TL;DR: 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one (CAS 681477-84-9) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Also Known As: 2,3,4-trimethylbicyclo[4.2.0]octa-1,3,5-trien-7-one, Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 2,3,4-trimethyl- (9CI)
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.35066 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 375.08078 |
Chemical Identifiers
| CAS Number | 681477-84-9 |
|---|---|
| SMILES | CC1=CC2=C(CC2=O)C(=C1C)C |
Product Overview
2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one (CAS 681477-84-9), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2,3,4-trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
Chemical Property Profile of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Property Insights of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
The XLogP value of 2.35066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one 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 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The CAS number of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one is 681477-84-9.
What is the molecular formula of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The molecular formula of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one is C11H12O.
What is the molecular weight of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The molecular weight of 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one is 160.09 g/mol.
Where can I buy 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
You can request a quote for 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.