2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate (CAS 355436-01-0) 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.
[2-(4-methylphenyl)-2-oxoethyl] 3-bromobenzoate
Also Known As: 2-(4-methylphenyl)-2-oxoethyl 3-bromobenzoate, [2-(4-methylphenyl)-2-oxoethyl] 3-bromobenzoate
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 3.79722 |
| 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 | 632.4252 |
Chemical Identifiers
| CAS Number | 355436-01-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)Br |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate (CAS 355436-01-0), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 3-bromobenzoate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate
The XLogP value of 3.79722 indicates that 2-(4-Methylphenyl)-2-oxoethyl 3-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, 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl 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 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate is 355436-01-0.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate is C16H13BrO3.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate is 332.00 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.