3-Chloro-1-phenyl-2-butene
TL;DR: 3-Chloro-1-phenyl-2-butene (CAS 16608-68-7) 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.
[(Z)-3-chlorobut-2-enyl]benzene
Also Known As: 3-CHLORO-1-PHENYL-2-BUTENE, [(Z)-3-chlorobut-2-enyl]benzene, (Z)-(3-Chloro-2-butenyl)benzene, (Z)-3-Chloro-1-phenyl-2-butene, 2-Butene, 3-chloro-1-phenyl-, (Z)-
| Molecular Formula | C10H11Cl |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 3.3717 |
| 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 | 232.30951 |
Chemical Identifiers
| CAS Number | 16608-68-7 |
|---|---|
| SMILES | C/C(=C/CC1=CC=CC=C1)/Cl |
Product Overview
3-Chloro-1-phenyl-2-butene (CAS 16608-68-7), with molecular formula C10H11Cl and molecular weight 166.05 g/mol. IUPAC: [(Z)-3-chlorobut-2-enyl]benzene.
Chemical Property Profile of 3-Chloro-1-phenyl-2-butene
Property Insights of 3-Chloro-1-phenyl-2-butene
The XLogP value of 3.3717 indicates that 3-Chloro-1-phenyl-2-butene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-1-phenyl-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-phenyl-2-butene 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 3-Chloro-1-phenyl-2-butene?
The CAS number of 3-Chloro-1-phenyl-2-butene is 16608-68-7.
What is the molecular formula of 3-Chloro-1-phenyl-2-butene?
The molecular formula of 3-Chloro-1-phenyl-2-butene is C10H11Cl.
What is the molecular weight of 3-Chloro-1-phenyl-2-butene?
The molecular weight of 3-Chloro-1-phenyl-2-butene is 166.05 g/mol.
Where can I buy 3-Chloro-1-phenyl-2-butene?
You can request a quote for 3-Chloro-1-phenyl-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-phenyl-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-phenyl-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.