o-Bromocumene
TL;DR: o-Bromocumene (CAS 7073-94-1) is a chemical compound with molecular formula C9H11Br and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-propan-2-ylbenzene
Also Known As: 1-Bromo-2-isopropylbenzene, 2-Bromocumene, O-BROMOCUMENE, 1-Bromo-2-(1-methylethyl)benzene, Cumene, o-bromo-
| Molecular Formula | C9H11Br |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00441 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 7073-94-1 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1Br |
| InChIKey | LECYCYNAEJDSIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Bromocumene (CAS 7073-94-1), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 1-bromo-2-propan-2-ylbenzene.
Chemical Property Profile of o-Bromocumene
Property Insights of o-Bromocumene
The XLogP value of 3.9 indicates that o-Bromocumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, o-Bromocumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Bromocumene 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 o-Bromocumene?
The CAS number of o-Bromocumene is 7073-94-1.
What is the molecular formula of o-Bromocumene?
The molecular formula of o-Bromocumene is C9H11Br.
What is the molecular weight of o-Bromocumene?
The molecular weight of o-Bromocumene is 198.00 g/mol.
Where can I buy o-Bromocumene?
You can request a quote for o-Bromocumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Bromocumene?
Yes, KEHONG BIO provides custom synthesis services for o-Bromocumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.