![7-Bromobicyclo[4.2.0]octa-1,3,5-triene structure](/static/products/2120/21209-12-1.webp)
7-Bromobicyclo[4.2.0]octa-1,3,5-triene
TL;DR: 7-Bromobicyclo[4.2.0]octa-1,3,5-triene (CAS 21209-12-1) is a chemical compound with molecular formula C8H7Br and molecular weight 181.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromobicyclo[4.2.0]octa-1,3,5-triene
Also Known As: 1-Bromobenzocyclobutene, 7-Bromobicyclo[4.2.0]octa-1,3,5-triene, bromobenzocyclobutene, bromo benzocyclobutane, 1-BROMO-BENZOCYCLOBUTANE
| Molecular Formula | C8H7Br |
|---|---|
| Molecular Weight | 181.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.97311 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 21209-12-1 |
|---|---|
| SMILES | C1C(C2=CC=CC=C21)Br |
| InChIKey | AYNXHFRDABNHRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Bromobicyclo[4.2.0]octa-1,3,5-triene (CAS 21209-12-1), with molecular formula C8H7Br and molecular weight 181.97 g/mol. IUPAC: 7-bromobicyclo[4.2.0]octa-1,3,5-triene.
Chemical Property Profile of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene
Property Insights of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromobicyclo[4.2.0]octa-1,3,5-triene. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Bromobicyclo[4.2.0]octa-1,3,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromobicyclo[4.2.0]octa-1,3,5-triene has 0 hydrogen bond donor(s) and 0 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 7-Bromobicyclo[4.2.0]octa-1,3,5-triene?
The CAS number of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene is 21209-12-1.
What is the molecular formula of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene?
The molecular formula of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene is C8H7Br.
What is the molecular weight of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene?
The molecular weight of 7-Bromobicyclo[4.2.0]octa-1,3,5-triene is 181.97 g/mol.
Where can I buy 7-Bromobicyclo[4.2.0]octa-1,3,5-triene?
You can request a quote for 7-Bromobicyclo[4.2.0]octa-1,3,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromobicyclo[4.2.0]octa-1,3,5-triene?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromobicyclo[4.2.0]octa-1,3,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.