4-Bromophenyl phenylacetate
TL;DR: 4-Bromophenyl phenylacetate (CAS 79235-34-0) is a chemical compound with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2-phenylacetate
Also Known As: 4-bromophenyl phenylacetate, (4-bromophenyl) 2-phenylacetate, Benzeneacetic acid, 4-bromophenyl ester
| Molecular Formula | C14H11BrO2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 3.5972 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.99423 |
| Heavy Atoms | 17 |
| Complexity | 491.39047 |
Chemical Identifiers
| CAS Number | 79235-34-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)Br |
Product Overview
4-Bromophenyl phenylacetate (CAS 79235-34-0), with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol. IUPAC: (4-bromophenyl) 2-phenylacetate.
Chemical Property Profile of 4-Bromophenyl phenylacetate
Property Insights of 4-Bromophenyl phenylacetate
The XLogP value of 3.5972 indicates that 4-Bromophenyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl phenylacetate 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 4-Bromophenyl phenylacetate?
The CAS number of 4-Bromophenyl phenylacetate is 79235-34-0.
What is the molecular formula of 4-Bromophenyl phenylacetate?
The molecular formula of 4-Bromophenyl phenylacetate is C14H11BrO2.
What is the molecular weight of 4-Bromophenyl phenylacetate?
The molecular weight of 4-Bromophenyl phenylacetate is 289.99 g/mol.
Where can I buy 4-Bromophenyl phenylacetate?
You can request a quote for 4-Bromophenyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.