9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one
TL;DR: 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one (CAS 72472-29-8) is a chemical compound with molecular formula C11H11BrO and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Also Known As: starbld0034512, 9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one, 9-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, J1.320.528K
| Molecular Formula | C11H11BrO |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.99933 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 72472-29-8 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2C(=O)C1)Br |
| InChIKey | HZPXWGZCCZHHFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one (CAS 72472-29-8), with molecular formula C11H11BrO and molecular weight 238.00 g/mol. IUPAC: 9-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
Chemical Property Profile of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one
Property Insights of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one. With a topological polar surface area (TPSA) of 17.1 Ų, 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-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 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one?
The CAS number of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one is 72472-29-8.
What is the molecular formula of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one?
The molecular formula of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one is C11H11BrO.
What is the molecular weight of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one?
The molecular weight of 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one is 238.00 g/mol.
Where can I buy 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one?
You can request a quote for 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.