Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
TL;DR: Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl (CAS 6809-95-6) is a chemical compound with molecular formula C16H14O and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
Also Known As: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone, Benzyl bicyclo(4.2.0)octa-1,3,5-trien-7-yl ketone, KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL BENZYL, Benzyl(bicyclo[4.2.0]octa-1,3,5-trien-7-yl) ketone, 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
| Molecular Formula | C16H14O |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10446 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 6809-95-6 |
|---|---|
| SMILES | C1C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3 |
| InChIKey | MWRCQJJQFQLAJJ-UHFFFAOYSA-N |
Product Overview
Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl (CAS 6809-95-6), with molecular formula C16H14O and molecular weight 222.10 g/mol. IUPAC: 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone.
Chemical Property Profile of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
Property Insights of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl. With a topological polar surface area (TPSA) of 17.1 Ų, Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl 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 Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl?
The CAS number of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl is 6809-95-6.
What is the molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl?
The molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl is C16H14O.
What is the molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl?
The molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl is 222.10 g/mol.
Where can I buy Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl?
You can request a quote for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.