2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one
TL;DR: 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one (CAS 6590-36-9) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
Also Known As: NCIOpen2_001652, 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one, 3,4,5,6-Tetramethyl-1-benzocyclobutanone, 2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one, 2,3,4,5-Tetramethyl-bicyclo[4,2,0]octa-1,3,5-trien-7-on
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6590-36-9 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1C)CC2=O)C)C |
| InChIKey | LEISDCHDKZDVAE-UHFFFAOYSA-N |
Product Overview
2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one (CAS 6590-36-9), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one.
Chemical Property Profile of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one
Property Insights of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-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 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one?
The CAS number of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one is 6590-36-9.
What is the molecular formula of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one?
The molecular formula of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one is C12H14O.
What is the molecular weight of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one?
The molecular weight of 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one is 174.10 g/mol.
Where can I buy 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one?
You can request a quote for 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-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 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetramethylbicyclo(4.2.0)octa-1,3,5-trien-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.