4-Vinylbenzyl bromide
TL;DR: 4-Vinylbenzyl bromide (CAS 13368-25-7) 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-(bromomethyl)-4-ethenylbenzene
Also Known As: 4-vinylbenzyl bromide, p-bromomethylstyrene, 4-(Bromomethyl)styrene, 1-(bromomethyl)-4-vinylbenzene, p-vinylbenzyl bromide
| Molecular Formula | C9H9Br |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 3.3 |
| 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 | 101.0 |
Chemical Identifiers
| CAS Number | 13368-25-7 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)CBr |
| InChIKey | VTPQLJUADNBKRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Vinylbenzyl bromide (CAS 13368-25-7), with molecular formula C9H9Br and molecular weight 195.99 g/mol. IUPAC: 1-(bromomethyl)-4-ethenylbenzene.
Chemical Property Profile of 4-Vinylbenzyl bromide
Property Insights of 4-Vinylbenzyl bromide
The XLogP value of 3.3 indicates that 4-Vinylbenzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Vinylbenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Vinylbenzyl bromide 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 4-Vinylbenzyl bromide?
The CAS number of 4-Vinylbenzyl bromide is 13368-25-7.
What is the molecular formula of 4-Vinylbenzyl bromide?
The molecular formula of 4-Vinylbenzyl bromide is C9H9Br.
What is the molecular weight of 4-Vinylbenzyl bromide?
The molecular weight of 4-Vinylbenzyl bromide is 195.99 g/mol.
Where can I buy 4-Vinylbenzyl bromide?
You can request a quote for 4-Vinylbenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Vinylbenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Vinylbenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.