1-Chloro-4-(phenoxy)but-2-ene
TL;DR: 1-Chloro-4-(phenoxy)but-2-ene (CAS 52159-49-6) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-enoxybenzene
Also Known As: 1-chloro-4-(phenoxy)but-2-ene, [(Z)-4-chlorobut-2-enoxy]benzene
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 52159-49-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC=CCCl |
| InChIKey | MFXSKOOKQSRGQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(phenoxy)but-2-ene (CAS 52159-49-6), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 4-chlorobut-2-enoxybenzene.
Chemical Property Profile of 1-Chloro-4-(phenoxy)but-2-ene
Property Insights of 1-Chloro-4-(phenoxy)but-2-ene
The XLogP value of 3.2 indicates that 1-Chloro-4-(phenoxy)but-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Chloro-4-(phenoxy)but-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(phenoxy)but-2-ene has 0 hydrogen bond donor(s) and 1 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 1-Chloro-4-(phenoxy)but-2-ene?
The CAS number of 1-Chloro-4-(phenoxy)but-2-ene is 52159-49-6.
What is the molecular formula of 1-Chloro-4-(phenoxy)but-2-ene?
The molecular formula of 1-Chloro-4-(phenoxy)but-2-ene is C10H11ClO.
What is the molecular weight of 1-Chloro-4-(phenoxy)but-2-ene?
The molecular weight of 1-Chloro-4-(phenoxy)but-2-ene is 182.05 g/mol.
Where can I buy 1-Chloro-4-(phenoxy)but-2-ene?
You can request a quote for 1-Chloro-4-(phenoxy)but-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(phenoxy)but-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(phenoxy)but-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.