ar-Vinylbenzyl chloride
TL;DR: ar-Vinylbenzyl chloride (CAS 52387-52-7) is a chemical compound with molecular formula C9H9Cl and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-3-ethenylbenzene
Also Known As: Chloromethyl styrene, 1-(Chloromethyl)-3-vinylbenzene, 3-(chloromethyl)styrene, 3-chloromethylstyrene, Ar-Vinylbenzyl chloride
| Molecular Formula | C9H9Cl |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.03928 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 52387-52-7 |
|---|---|
| SMILES | C=CC1=CC=CC(=C1)CCl |
| InChIKey | HMDQPBSDHHTRNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ar-Vinylbenzyl chloride (CAS 52387-52-7), with molecular formula C9H9Cl and molecular weight 152.04 g/mol. IUPAC: 1-(chloromethyl)-3-ethenylbenzene.
Chemical Property Profile of ar-Vinylbenzyl chloride
Property Insights of ar-Vinylbenzyl chloride
The XLogP value of 3.1 indicates that ar-Vinylbenzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, ar-Vinylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ar-Vinylbenzyl chloride 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 ar-Vinylbenzyl chloride?
The CAS number of ar-Vinylbenzyl chloride is 52387-52-7.
What is the molecular formula of ar-Vinylbenzyl chloride?
The molecular formula of ar-Vinylbenzyl chloride is C9H9Cl.
What is the molecular weight of ar-Vinylbenzyl chloride?
The molecular weight of ar-Vinylbenzyl chloride is 152.04 g/mol.
Where can I buy ar-Vinylbenzyl chloride?
You can request a quote for ar-Vinylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ar-Vinylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for ar-Vinylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.