Benzene, 1-chloro-4-(1-methylenepropyl)-
TL;DR: Benzene, 1-chloro-4-(1-methylenepropyl)- (CAS 21758-20-3) 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-but-1-en-2-yl-4-chlorobenzene
Also Known As: 2- -1-butene, alpha-Ethyl-4-chlorostyrene, 2-(4-Chlorophenyl)-1-butene, Styrene, p-chloro-.alpha.-ethyl-, 1-(but-1-en-2-yl)-4-chlorobenzene
| Molecular Formula | C10H11Cl |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.05493 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 21758-20-3 |
|---|---|
| SMILES | CCC(=C)C1=CC=C(C=C1)Cl |
| InChIKey | JOKOHULXBGRGNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-(1-methylenepropyl)- (CAS 21758-20-3), with molecular formula C10H11Cl and molecular weight 166.05 g/mol. IUPAC: 1-but-1-en-2-yl-4-chlorobenzene.
Chemical Property Profile of Benzene, 1-chloro-4-(1-methylenepropyl)-
Property Insights of Benzene, 1-chloro-4-(1-methylenepropyl)-
The XLogP value of 4.4 indicates that Benzene, 1-chloro-4-(1-methylenepropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-chloro-4-(1-methylenepropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-(1-methylenepropyl)- 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 Benzene, 1-chloro-4-(1-methylenepropyl)-?
The CAS number of Benzene, 1-chloro-4-(1-methylenepropyl)- is 21758-20-3.
What is the molecular formula of Benzene, 1-chloro-4-(1-methylenepropyl)-?
The molecular formula of Benzene, 1-chloro-4-(1-methylenepropyl)- is C10H11Cl.
What is the molecular weight of Benzene, 1-chloro-4-(1-methylenepropyl)-?
The molecular weight of Benzene, 1-chloro-4-(1-methylenepropyl)- is 166.05 g/mol.
Where can I buy Benzene, 1-chloro-4-(1-methylenepropyl)-?
You can request a quote for Benzene, 1-chloro-4-(1-methylenepropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-(1-methylenepropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-(1-methylenepropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.