Benzocyclobutanone
TL;DR: Benzocyclobutanone (CAS 3469-06-5) is a chemical compound with molecular formula C8H6O and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[4.2.0]octa-1,3,5-trien-7-one
Also Known As: Benzocyclobutenone, Bicyclo[4.2.0]octa-1,3,5-trien-7-one, Benzocyclobuten-1(2H)-one, Benzocyclobutanone, 1-Azetidinepropanamine
| Molecular Formula | C8H6O |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.04186 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 3469-06-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C1=O |
| InChIKey | XOGFXHMYHKGOGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzocyclobutanone (CAS 3469-06-5), with molecular formula C8H6O and molecular weight 118.04 g/mol. IUPAC: bicyclo[4.2.0]octa-1,3,5-trien-7-one.
Chemical Property Profile of Benzocyclobutanone
Property Insights of Benzocyclobutanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzocyclobutanone. With a topological polar surface area (TPSA) of 17.1 Ų, Benzocyclobutanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzocyclobutanone 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 Benzocyclobutanone?
The CAS number of Benzocyclobutanone is 3469-06-5.
What is the molecular formula of Benzocyclobutanone?
The molecular formula of Benzocyclobutanone is C8H6O.
What is the molecular weight of Benzocyclobutanone?
The molecular weight of Benzocyclobutanone is 118.04 g/mol.
Where can I buy Benzocyclobutanone?
You can request a quote for Benzocyclobutanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzocyclobutanone?
Yes, KEHONG BIO provides custom synthesis services for Benzocyclobutanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.