7H-Benzocyclohepten-7-one
TL;DR: 7H-Benzocyclohepten-7-one (CAS 4443-91-8) is a chemical compound with molecular formula C11H8O and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[7]annulen-7-one
Also Known As: Benzotropone, 4,5-Benzotropone, 7H-Benzocyclohepten-7-one, benzo[7]annulen-7-one, 7H-Benzocyclophepten-7-one
| Molecular Formula | C11H8O |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.05751 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 4443-91-8 |
|---|---|
| SMILES | C1=CC=C2C=CC(=O)C=CC2=C1 |
| InChIKey | VJPAMLCBTIWAHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7H-Benzocyclohepten-7-one (CAS 4443-91-8), with molecular formula C11H8O and molecular weight 156.06 g/mol. IUPAC: benzo[7]annulen-7-one.
Chemical Property Profile of 7H-Benzocyclohepten-7-one
Property Insights of 7H-Benzocyclohepten-7-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Benzocyclohepten-7-one. With a topological polar surface area (TPSA) of 17.1 Ų, 7H-Benzocyclohepten-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benzocyclohepten-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 7H-Benzocyclohepten-7-one?
The CAS number of 7H-Benzocyclohepten-7-one is 4443-91-8.
What is the molecular formula of 7H-Benzocyclohepten-7-one?
The molecular formula of 7H-Benzocyclohepten-7-one is C11H8O.
What is the molecular weight of 7H-Benzocyclohepten-7-one?
The molecular weight of 7H-Benzocyclohepten-7-one is 156.06 g/mol.
Where can I buy 7H-Benzocyclohepten-7-one?
You can request a quote for 7H-Benzocyclohepten-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Benzocyclohepten-7-one?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benzocyclohepten-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.