1-Allyl-2-bromobenzene
TL;DR: 1-Allyl-2-bromobenzene (CAS 42918-20-7) is a chemical compound with molecular formula C9H9Br and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-prop-2-enylbenzene
Also Known As: 1-Allyl-2-bromobenzene, o-Allylbromobenzene, 2-Allylphenyl bromide, allyl bromobenzene, 2-Allylbromobenzene
| Molecular Formula | C9H9Br |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.98875 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 42918-20-7 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1Br |
| InChIKey | NTYPQDZCDDLKLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allyl-2-bromobenzene (CAS 42918-20-7), with molecular formula C9H9Br and molecular weight 195.99 g/mol. IUPAC: 1-bromo-2-prop-2-enylbenzene.
Chemical Property Profile of 1-Allyl-2-bromobenzene
Property Insights of 1-Allyl-2-bromobenzene
The XLogP value of 3.7 indicates that 1-Allyl-2-bromobenzene 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-Allyl-2-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-2-bromobenzene 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-Allyl-2-bromobenzene?
The CAS number of 1-Allyl-2-bromobenzene is 42918-20-7.
What is the molecular formula of 1-Allyl-2-bromobenzene?
The molecular formula of 1-Allyl-2-bromobenzene is C9H9Br.
What is the molecular weight of 1-Allyl-2-bromobenzene?
The molecular weight of 1-Allyl-2-bromobenzene is 195.99 g/mol.
Where can I buy 1-Allyl-2-bromobenzene?
You can request a quote for 1-Allyl-2-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.