alpha,beta-Dichlorostyrene
TL;DR: alpha,beta-Dichlorostyrene (CAS 6607-45-0) is a chemical compound with molecular formula C8H6Cl2 and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloroethenylbenzene
Also Known As: Dwuchlorostyren, alpha,beta-Dichlorostyrene, Dwuchlorostyren [Polish], 1,2-dichloroethenylbenzene, 1,2-Dichloro-1-phenylethene
| Molecular Formula | C8H6Cl2 |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.98465 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6607-45-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CCl)Cl |
| InChIKey | OQGSCHGFHOSXFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,beta-Dichlorostyrene (CAS 6607-45-0), with molecular formula C8H6Cl2 and molecular weight 171.98 g/mol. IUPAC: 1,2-dichloroethenylbenzene.
Chemical Property Profile of alpha,beta-Dichlorostyrene
Property Insights of alpha,beta-Dichlorostyrene
The XLogP value of 3.4 indicates that alpha,beta-Dichlorostyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha,beta-Dichlorostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,beta-Dichlorostyrene 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 alpha,beta-Dichlorostyrene?
The CAS number of alpha,beta-Dichlorostyrene is 6607-45-0.
What is the molecular formula of alpha,beta-Dichlorostyrene?
The molecular formula of alpha,beta-Dichlorostyrene is C8H6Cl2.
What is the molecular weight of alpha,beta-Dichlorostyrene?
The molecular weight of alpha,beta-Dichlorostyrene is 171.98 g/mol.
Where can I buy alpha,beta-Dichlorostyrene?
You can request a quote for alpha,beta-Dichlorostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,beta-Dichlorostyrene?
Yes, KEHONG BIO provides custom synthesis services for alpha,beta-Dichlorostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.