2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate (CAS 299963-32-9) is a chemical compound with molecular formula C15H9BrN2O7 and molecular weight 407.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 3,5-dinitrobenzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate, BAS 00029492, [2-(4-bromophenyl)-2-oxoethyl] 3,5-dinitrobenzoate, AH-034/11366478, 3,5-Dinitro-benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C15H9BrN2O7 |
|---|---|
| Molecular Weight | 407.96 g/mol |
| LogP | 3.3052 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.95932 |
| Heavy Atoms | 25 |
| Complexity | 832.43365 |
Chemical Identifiers
| CAS Number | 299963-32-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate (CAS 299963-32-9), with molecular formula C15H9BrN2O7 and molecular weight 407.96 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 3,5-dinitrobenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate
The XLogP value of 3.3052 indicates that 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 7 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 3,5-dinitrobenzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate is 299963-32-9.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate is C15H9BrN2O7.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate is 407.96 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate 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 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.