2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate (CAS 93329-62-5) is a chemical compound with molecular formula C17H15BrO5 and molecular weight 378.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate, BAS 00293898, BIM-0048072.P001, [2-(4-bromophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate, 3,4-Dimethoxy-benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C17H15BrO5 |
|---|---|
| Molecular Weight | 378.01 g/mol |
| LogP | 3.506 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.01028 |
| Heavy Atoms | 23 |
| Complexity | 709.4237 |
Chemical Identifiers
| CAS Number | 93329-62-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)OC |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate (CAS 93329-62-5), with molecular formula C17H15BrO5 and molecular weight 378.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
The XLogP value of 3.506 indicates that 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is 93329-62-5.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is C17H15BrO5.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is 378.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.