2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate (CAS 93809-22-4) is a chemical compound with molecular formula C18H17BrO6 and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate, BAS 00315897, [2-(4-bromophenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxy-benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C18H17BrO6 |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 3.5146 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.02084 |
| Heavy Atoms | 25 |
| Complexity | 744.6309 |
Chemical Identifiers
| CAS Number | 93809-22-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate (CAS 93809-22-4), with molecular formula C18H17BrO6 and molecular weight 408.02 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate
The XLogP value of 3.5146 indicates that 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 6 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 3,4,5-trimethoxybenzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate is 93809-22-4.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate is C18H17BrO6.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate is 408.02 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate 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 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.