1-(2-Chloroethyl)-4-vinylbenzene
TL;DR: 1-(2-Chloroethyl)-4-vinylbenzene (CAS 90794-48-2) is a chemical compound with molecular formula C10H11Cl and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-4-ethenylbenzene
Also Known As: 4-(2-Chloroethyl)styrene, 1-(2-Chloroethyl)-4-vinylbenzene, 1-(2-chloroethyl)-4-ethenylbenzene, Benzene, 1-(2-chloroethyl)-4-ethenyl-, 4-(2-Chloroethyl)-styrene
| Molecular Formula | C10H11Cl |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.05493 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 90794-48-2 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)CCCl |
| InChIKey | UDSWRXKMHZVDEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-4-vinylbenzene (CAS 90794-48-2), with molecular formula C10H11Cl and molecular weight 166.05 g/mol. IUPAC: 1-(2-chloroethyl)-4-ethenylbenzene.
Chemical Property Profile of 1-(2-Chloroethyl)-4-vinylbenzene
Property Insights of 1-(2-Chloroethyl)-4-vinylbenzene
The XLogP value of 3.5 indicates that 1-(2-Chloroethyl)-4-vinylbenzene 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-(2-Chloroethyl)-4-vinylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-4-vinylbenzene 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-(2-Chloroethyl)-4-vinylbenzene?
The CAS number of 1-(2-Chloroethyl)-4-vinylbenzene is 90794-48-2.
What is the molecular formula of 1-(2-Chloroethyl)-4-vinylbenzene?
The molecular formula of 1-(2-Chloroethyl)-4-vinylbenzene is C10H11Cl.
What is the molecular weight of 1-(2-Chloroethyl)-4-vinylbenzene?
The molecular weight of 1-(2-Chloroethyl)-4-vinylbenzene is 166.05 g/mol.
Where can I buy 1-(2-Chloroethyl)-4-vinylbenzene?
You can request a quote for 1-(2-Chloroethyl)-4-vinylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-4-vinylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-4-vinylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.