4-Chloro-beta,beta-dimethylstyrene
TL;DR: 4-Chloro-beta,beta-dimethylstyrene (CAS 5339-65-1) 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-chloro-4-(2-methylprop-1-enyl)benzene
Also Known As: 4-Chloro-beta,beta-dimethylstyrene, Styrene, 4-chloro-beta,beta-dimethyl-, 1-Isobutenyl-4-chlorobenzene, 4-Chloro-?,?-dimethylstyrene, 1-chloro-4-(2-methylprop-1-en-1-yl)benzene
| Molecular Formula | C10H11Cl |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.05493 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5339-65-1 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)Cl)C |
| InChIKey | WRALWKVPQMAMTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-beta,beta-dimethylstyrene (CAS 5339-65-1), with molecular formula C10H11Cl and molecular weight 166.05 g/mol. IUPAC: 1-chloro-4-(2-methylprop-1-enyl)benzene.
Chemical Property Profile of 4-Chloro-beta,beta-dimethylstyrene
Property Insights of 4-Chloro-beta,beta-dimethylstyrene
The XLogP value of 4.6 indicates that 4-Chloro-beta,beta-dimethylstyrene 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-Chloro-beta,beta-dimethylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-beta,beta-dimethylstyrene 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-Chloro-beta,beta-dimethylstyrene?
The CAS number of 4-Chloro-beta,beta-dimethylstyrene is 5339-65-1.
What is the molecular formula of 4-Chloro-beta,beta-dimethylstyrene?
The molecular formula of 4-Chloro-beta,beta-dimethylstyrene is C10H11Cl.
What is the molecular weight of 4-Chloro-beta,beta-dimethylstyrene?
The molecular weight of 4-Chloro-beta,beta-dimethylstyrene is 166.05 g/mol.
Where can I buy 4-Chloro-beta,beta-dimethylstyrene?
You can request a quote for 4-Chloro-beta,beta-dimethylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-beta,beta-dimethylstyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-beta,beta-dimethylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.