Phenacyl 3-bromobenzoate
TL;DR: Phenacyl 3-bromobenzoate (CAS 55153-27-0) 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.
phenacyl 3-bromobenzoate
Also Known As: phenacyl 3-bromobenzoate, 3-Bromobenzoic acid phenacyl ester, 2-Oxo-2-phenylethyl 3-bromobenzoate, 5-bromo-2-benzoyloxy-acetophenone, 2-Oxo-2-phenylethyl 3-bromobenzoate #
| 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 | 323.0 |
Chemical Identifiers
| CAS Number | 55153-27-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)Br |
| InChIKey | GDXLALKWDACHEQ-UHFFFAOYSA-N |
Product Overview
Phenacyl 3-bromobenzoate (CAS 55153-27-0), with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol. IUPAC: phenacyl 3-bromobenzoate.
Chemical Property Profile of Phenacyl 3-bromobenzoate
Property Insights of Phenacyl 3-bromobenzoate
The XLogP value of 3.9 indicates that Phenacyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Phenacyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl 3-bromobenzoate 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 Phenacyl 3-bromobenzoate?
The CAS number of Phenacyl 3-bromobenzoate is 55153-27-0.
What is the molecular formula of Phenacyl 3-bromobenzoate?
The molecular formula of Phenacyl 3-bromobenzoate is C15H11BrO3.
What is the molecular weight of Phenacyl 3-bromobenzoate?
The molecular weight of Phenacyl 3-bromobenzoate is 317.99 g/mol.
Where can I buy Phenacyl 3-bromobenzoate?
You can request a quote for Phenacyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.