Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester
TL;DR: Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 53756-56-2) is a chemical compound with molecular formula C18H17BrO3 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
Also Known As: [2-(4-bromophenyl)-2-oxoethyl] 2,4,6-trimethylbenzoate|Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester|2-(4-BROMOPHENYL)-2-OXOETHYL 2,4,6-TRIMETHYLBENZOATE|Benzoic acid,2,4,6-trimethyl-,2-(4-bromophenyl)-2-oxoethyl ester
| Molecular Formula | C18H17BrO3 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 4.41406 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.0361 |
| Heavy Atoms | 22 |
| Complexity | 694.6073 |
Chemical Identifiers
| CAS Number | 53756-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C |
Product Overview
Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 53756-56-2), with molecular formula C18H17BrO3 and molecular weight 360.04 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2,4,6-trimethylbenzoate.
Chemical Property Profile of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester
Property Insights of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester
The XLogP value of 4.41406 indicates that Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester 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 Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester?
The CAS number of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester is 53756-56-2.
What is the molecular formula of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular formula of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester is C18H17BrO3.
What is the molecular weight of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular weight of Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester is 360.04 g/mol.
Where can I buy Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester?
You can request a quote for Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4,6-trimethyl-, 2-(4-bromophenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.