![2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate structure](/static/products/3518/351898-34-5.webp)
2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate
TL;DR: 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate (CAS 351898-34-5) 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] 4-[(4-bromobenzoyl)amino]benzoate
Also Known As: 2-{3-nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate, [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-bromobenzoyl)amino]benzoate, 2-(3-NITROPHENYL)-2-OXOETHYL 4-(4-BROMOBENZAMIDO)BENZOATE, 2-(3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbonylamino]benzoate, 2-(3-nitrophenyl)-2-oxoethyl 4-{[(4-bromophenyl)carbonyl]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 | 1143.4225 |
Chemical Identifiers
| CAS Number | 351898-34-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate (CAS 351898-34-5), with molecular formula C22H15BrN2O6 and molecular weight 482.01 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-bromobenzoyl)amino]benzoate.
Chemical Property Profile of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate
Property Insights of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate
The XLogP value of 4.6493 indicates that 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]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 4-[(4-bromobenzoyl)amino]benzoate. Following Lipinski's Rule of Five, 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]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 4-[(4-bromobenzoyl)amino]benzoate?
The CAS number of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate is 351898-34-5.
What is the molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate?
The molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate is C22H15BrN2O6.
What is the molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate?
The molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate is 482.01 g/mol.
Where can I buy 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate?
You can request a quote for 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)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 4-[(4-bromobenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-Nitrophenyl}-2-oxoethyl 4-[(4-bromobenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.