1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate
TL;DR: 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate (CAS 335390-87-9) is a chemical compound with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) 4-bromobenzoate
Also Known As: (1-oxo-1-phenylpropan-2-yl) 4-bromobenzoate, 1-methyl-2-oxo-2-phenylethyl 4-bromobenzoate, 1-oxo-1-phenylpropan-2-yl 4-bromobenzoate, BAS 02800644, 4-Bromobenzoic acid alpha-methylphenacyl ester
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 3.8773 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.00482 |
| Heavy Atoms | 20 |
| Complexity | 605.3789 |
Chemical Identifiers
| CAS Number | 335390-87-9 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate (CAS 335390-87-9), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) 4-bromobenzoate.
Chemical Property Profile of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate
Property Insights of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate
The XLogP value of 3.8773 indicates that 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-oxo-2-phenylethyl 4-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 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate?
The CAS number of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate is 335390-87-9.
What is the molecular formula of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate?
The molecular formula of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate is C16H13BrO3.
What is the molecular weight of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate?
The molecular weight of 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate is 332.00 g/mol.
Where can I buy 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate?
You can request a quote for 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxo-2-phenylethyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.