3-Acetoxy-3-phenyl-2-bromopropene
TL;DR: 3-Acetoxy-3-phenyl-2-bromopropene (CAS 96725-16-5) is a chemical compound with molecular formula C11H11BrO2 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-1-phenylprop-2-enyl) acetate
Also Known As: 3-Acetoxy-3-phenyl-2-bromopropene, 3-acetoxy-2-bromo-3-phenyl-1-propene, 2-Bromo-1-phenyl-2-propenyl acetate, (2-bromo-1-phenylprop-2-enyl) acetate, 2-Bromo-1-phenyl-2-propenyl acetate #
| Molecular Formula | C11H11BrO2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99425 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 96725-16-5 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=C)Br |
| InChIKey | GBKVMVHIHAPFMO-UHFFFAOYSA-N |
Product Overview
3-Acetoxy-3-phenyl-2-bromopropene (CAS 96725-16-5), with molecular formula C11H11BrO2 and molecular weight 253.99 g/mol. IUPAC: (2-bromo-1-phenylprop-2-enyl) acetate.
Chemical Property Profile of 3-Acetoxy-3-phenyl-2-bromopropene
Property Insights of 3-Acetoxy-3-phenyl-2-bromopropene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-3-phenyl-2-bromopropene. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Acetoxy-3-phenyl-2-bromopropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-3-phenyl-2-bromopropene has 0 hydrogen bond donor(s) and 2 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-Acetoxy-3-phenyl-2-bromopropene?
The CAS number of 3-Acetoxy-3-phenyl-2-bromopropene is 96725-16-5.
What is the molecular formula of 3-Acetoxy-3-phenyl-2-bromopropene?
The molecular formula of 3-Acetoxy-3-phenyl-2-bromopropene is C11H11BrO2.
What is the molecular weight of 3-Acetoxy-3-phenyl-2-bromopropene?
The molecular weight of 3-Acetoxy-3-phenyl-2-bromopropene is 253.99 g/mol.
Where can I buy 3-Acetoxy-3-phenyl-2-bromopropene?
You can request a quote for 3-Acetoxy-3-phenyl-2-bromopropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-3-phenyl-2-bromopropene?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-3-phenyl-2-bromopropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.