1-Bromo-4-isopropylbenzene
TL;DR: 1-Bromo-4-isopropylbenzene (CAS 586-61-8) 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-4-propan-2-ylbenzene
Also Known As: 1-Bromo-4-isopropylbenzene, 4-Bromocumene, p-Bromocumene, 4-Bromoisopropylbenzene, Cumene, p-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 | 90.0 |
| Vapor Pressure | 0.2 [mmHg] |
Chemical Identifiers
| CAS Number | 586-61-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)Br |
| InChIKey | MOZHUOIQYVYEPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-isopropylbenzene (CAS 586-61-8), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 1-bromo-4-propan-2-ylbenzene.
Chemical Property Profile of 1-Bromo-4-isopropylbenzene
Property Insights of 1-Bromo-4-isopropylbenzene
The XLogP value of 3.9 indicates that 1-Bromo-4-isopropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-isopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-isopropylbenzene 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 1-Bromo-4-isopropylbenzene?
The CAS number of 1-Bromo-4-isopropylbenzene is 586-61-8.
What is the molecular formula of 1-Bromo-4-isopropylbenzene?
The molecular formula of 1-Bromo-4-isopropylbenzene is C9H11Br.
What is the molecular weight of 1-Bromo-4-isopropylbenzene?
The molecular weight of 1-Bromo-4-isopropylbenzene is 198.00 g/mol.
Where can I buy 1-Bromo-4-isopropylbenzene?
You can request a quote for 1-Bromo-4-isopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-isopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-isopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.