5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one
TL;DR: 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one (CAS 81447-63-4) is a chemical compound with molecular formula C8H5ClO and molecular weight 152.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chlorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Also Known As: 5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one, 6-chlorobenzocylobutenone, 5-chlorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one, 6-chloro-1-phenylbenzocyclobutenone, 3-Chloro-1,2-ethanobenzene-7-one
| Molecular Formula | C8H5ClO |
|---|---|
| Molecular Weight | 152.00 g/mol |
| LogP | 2.0788 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.0029 |
| Heavy Atoms | 10 |
| Complexity | 289.87595 |
Chemical Identifiers
| CAS Number | 81447-63-4 |
|---|---|
| SMILES | C1C2=C(C1=O)C(=CC=C2)Cl |
Product Overview
5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one (CAS 81447-63-4), with molecular formula C8H5ClO and molecular weight 152.00 g/mol. IUPAC: 5-chlorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
Chemical Property Profile of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one
Property Insights of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one
The XLogP value of 2.0788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one. With a topological polar surface area (TPSA) of 17.07 Ų, 5-Chlorobicyclo(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, 5-Chlorobicyclo(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 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one?
The CAS number of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one is 81447-63-4.
What is the molecular formula of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one?
The molecular formula of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one is C8H5ClO.
What is the molecular weight of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one?
The molecular weight of 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one is 152.00 g/mol.
Where can I buy 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one?
You can request a quote for 5-Chlorobicyclo(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 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorobicyclo(4.2.0)octa-1,3,5-trien-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.