2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate
TL;DR: 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate (CAS 332023-85-5) is a chemical compound with molecular formula C22H14N4O10 and molecular weight 494.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate
Also Known As: BAS 00817576, 2-{3-nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate, [2-(3-nitrophenyl)-2-oxoethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate, 2-(3-nitrophenyl)-2-oxoethyl 3-{[(2,4-dinitrophenyl)carbonyl]amino}benzoate, 3-(2,4-Dinitro-benzoylamino)-benzoic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C22H14N4O10 |
|---|---|
| Molecular Weight | 494.07 g/mol |
| LogP | 3.7032 |
| Topological Polar Surface Area | 201.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.07098 |
| Heavy Atoms | 36 |
| Complexity | 1419.4427 |
Chemical Identifiers
| CAS Number | 332023-85-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate (CAS 332023-85-5), with molecular formula C22H14N4O10 and molecular weight 494.07 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate.
Chemical Property Profile of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate
Property Insights of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate
The XLogP value of 3.7032 indicates that 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.89 Ų indicates high polarity, suggesting 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate has 1 hydrogen bond donor(s) and 10 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-({2,4-dinitrobenzoyl}amino)benzoate?
The CAS number of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate is 332023-85-5.
What is the molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate?
The molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate is C22H14N4O10.
What is the molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate?
The molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate is 494.07 g/mol.
Where can I buy 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate?
You can request a quote for 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)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-({2,4-dinitrobenzoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-Nitrophenyl}-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.