β-氯苯乙烯
TL;DR: β-氯苯乙烯 (CAS 622-25-3) is a chemical compound with molecular formula C8H7Cl and molecular weight 138.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-氯苯乙烯
2-chloroethenylbenzene
Also Known As: beta-Chlorostyrene, Chlorostyrene, 2-chloroethenylbenzene, monochlorostyrene, Styrene, chloro-
| Molecular Formula | C8H7Cl |
|---|---|
| Molecular Weight | 138.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.02362 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 622-25-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCl |
| InChIKey | SBYMUDUGTIKLCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-氯苯乙烯 (CAS 622-25-3), with molecular formula C8H7Cl and molecular weight 138.02 g/mol. IUPAC: 2-chloroethenylbenzene.
Chemical Property Profile of β-氯苯乙烯
Property Insights of β-氯苯乙烯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-氯苯乙烯. With a topological polar surface area (TPSA) of 0.0 Ų, β-氯苯乙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-氯苯乙烯 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 β-氯苯乙烯?
The CAS number of β-氯苯乙烯 is 622-25-3.
What is the molecular formula of β-氯苯乙烯?
The molecular formula of β-氯苯乙烯 is C8H7Cl.
What is the molecular weight of β-氯苯乙烯?
The molecular weight of β-氯苯乙烯 is 138.02 g/mol.
Where can I buy β-氯苯乙烯?
You can request a quote for β-氯苯乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-氯苯乙烯?
Yes, KEHONG BIO provides custom synthesis services for β-氯苯乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.