(3-Chloro-2-buten-1-yl)benzene
TL;DR: (3-Chloro-2-buten-1-yl)benzene (CAS 15854-63-4) 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.
3-chlorobut-2-enylbenzene
Also Known As: 3-chlorobut-2-enylbenzene, 3-chloro-1-phenyl-but-2-ene, (3-Chloro-2-buten-1-yl)benzene, Benzene, (3-chloro-2-butenyl)-, (3-CHLOROBUT-2-EN-1-YL)BENZENE
| Molecular Formula | C10H11Cl |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 3.9 |
| 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 | 132.0 |
Chemical Identifiers
| CAS Number | 15854-63-4 |
|---|---|
| SMILES | CC(=CCC1=CC=CC=C1)Cl |
| InChIKey | BMKFTLGOMZXRQC-UHFFFAOYSA-N |
Product Overview
(3-Chloro-2-buten-1-yl)benzene (CAS 15854-63-4), with molecular formula C10H11Cl and molecular weight 166.05 g/mol. IUPAC: 3-chlorobut-2-enylbenzene.
Chemical Property Profile of (3-Chloro-2-buten-1-yl)benzene
Property Insights of (3-Chloro-2-buten-1-yl)benzene
The XLogP value of 3.9 indicates that (3-Chloro-2-buten-1-yl)benzene 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-2-buten-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-2-buten-1-yl)benzene 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-2-buten-1-yl)benzene?
The CAS number of (3-Chloro-2-buten-1-yl)benzene is 15854-63-4.
What is the molecular formula of (3-Chloro-2-buten-1-yl)benzene?
The molecular formula of (3-Chloro-2-buten-1-yl)benzene is C10H11Cl.
What is the molecular weight of (3-Chloro-2-buten-1-yl)benzene?
The molecular weight of (3-Chloro-2-buten-1-yl)benzene is 166.05 g/mol.
Where can I buy (3-Chloro-2-buten-1-yl)benzene?
You can request a quote for (3-Chloro-2-buten-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-2-buten-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-buten-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.