p-Bromophenacyl benzoate
TL;DR: p-Bromophenacyl benzoate (CAS 7506-12-9) is a chemical compound with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] benzoate
Also Known As: p-Bromophenacyl benzoate, Acetophenone, benzoate, 2-(4-Bromophenyl)-2-oxoethyl benzoate, P-BROMOPHENACYLBENZOATE, Benzoic acid 4-bromophenacyl ester
| Molecular Formula | C15H11BrO3 |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.98917 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 7506-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
| InChIKey | VTEGMTYLKZOVGZ-UHFFFAOYSA-N |
Product Overview
p-Bromophenacyl benzoate (CAS 7506-12-9), with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] benzoate.
Chemical Property Profile of p-Bromophenacyl benzoate
Property Insights of p-Bromophenacyl benzoate
The XLogP value of 3.9 indicates that p-Bromophenacyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, p-Bromophenacyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromophenacyl benzoate has 0 hydrogen bond donor(s) and 3 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 p-Bromophenacyl benzoate?
The CAS number of p-Bromophenacyl benzoate is 7506-12-9.
What is the molecular formula of p-Bromophenacyl benzoate?
The molecular formula of p-Bromophenacyl benzoate is C15H11BrO3.
What is the molecular weight of p-Bromophenacyl benzoate?
The molecular weight of p-Bromophenacyl benzoate is 317.99 g/mol.
Where can I buy p-Bromophenacyl benzoate?
You can request a quote for p-Bromophenacyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Bromophenacyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for p-Bromophenacyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.