2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate
TL;DR: 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate (CAS 355814-96-9) is a chemical compound with molecular formula C15H11BrO4 and molecular weight 333.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 5-bromo-2-hydroxybenzoate
Also Known As: 2-oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate, phenacyl 5-bromo-2-hydroxybenzoate
| Molecular Formula | C15H11BrO4 |
|---|---|
| Molecular Weight | 333.98 g/mol |
| LogP | 3.1944 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.98407 |
| Heavy Atoms | 20 |
| Complexity | 637.5767 |
Chemical Identifiers
| CAS Number | 355814-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O |
Product Overview
2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate (CAS 355814-96-9), with molecular formula C15H11BrO4 and molecular weight 333.98 g/mol. IUPAC: phenacyl 5-bromo-2-hydroxybenzoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate
Property Insights of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate
The XLogP value of 3.1944 indicates that 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate has 1 hydrogen bond donor(s) and 4 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 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate?
The CAS number of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate is 355814-96-9.
What is the molecular formula of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate?
The molecular formula of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate is C15H11BrO4.
What is the molecular weight of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate?
The molecular weight of 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate is 333.98 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate?
You can request a quote for 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 5-bromo-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.