2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate (CAS 332023-76-4) is a chemical compound with molecular formula C22H15BrN2O6 and molecular weight 482.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 3-[(2-bromobenzoyl)amino]benzoate
Also Known As: BAS 00817503, 2-(3-nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate, [2-(3-nitrophenyl)-2-oxoethyl] 3-[(2-bromobenzoyl)amino]benzoate, 3-(2-Bromo-benzoylamino)-benzoic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester, 2-{3-nitrophenyl}-2-oxoethyl 3-[(2-bromobenzoyl)amino]benzoate
| Molecular Formula | C22H15BrN2O6 |
|---|---|
| Molecular Weight | 482.01 g/mol |
| LogP | 4.6493 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.01135 |
| Heavy Atoms | 31 |
| Complexity | 1177.9225 |
Chemical Identifiers
| CAS Number | 332023-76-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate (CAS 332023-76-4), with molecular formula C22H15BrN2O6 and molecular weight 482.01 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 3-[(2-bromobenzoyl)amino]benzoate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate
The XLogP value of 4.6493 indicates that 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate has 1 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-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate is 332023-76-4.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate is C22H15BrN2O6.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate is 482.01 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl 3-(2-bromobenzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.