1-Bromo-2-phenylpropane
TL;DR: 1-Bromo-2-phenylpropane (CAS 1459-00-3) 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-bromopropan-2-ylbenzene
Also Known As: 1-Bromo-2-phenylpropane, beta-Bromocumene, (1-Bromopropan-2-Yl)Benzene, 2-Phenylpropyl bromide, beta-Bromoisopropylbenzene
| 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 | 2 |
| Exact Mass | 198.00441 |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 1459-00-3 |
|---|---|
| SMILES | CC(CBr)C1=CC=CC=C1 |
| InChIKey | XJWVCWQKZQENDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-phenylpropane (CAS 1459-00-3), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 1-bromopropan-2-ylbenzene.
Chemical Property Profile of 1-Bromo-2-phenylpropane
Property Insights of 1-Bromo-2-phenylpropane
The XLogP value of 3.9 indicates that 1-Bromo-2-phenylpropane 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-2-phenylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-phenylpropane 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-2-phenylpropane?
The CAS number of 1-Bromo-2-phenylpropane is 1459-00-3.
What is the molecular formula of 1-Bromo-2-phenylpropane?
The molecular formula of 1-Bromo-2-phenylpropane is C9H11Br.
What is the molecular weight of 1-Bromo-2-phenylpropane?
The molecular weight of 1-Bromo-2-phenylpropane is 198.00 g/mol.
Where can I buy 1-Bromo-2-phenylpropane?
You can request a quote for 1-Bromo-2-phenylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-phenylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-phenylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.