![2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate structure](/static/products/3129/312947-29-8.webp)
2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate
TL;DR: 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate (CAS 312947-29-8) is a chemical compound with molecular formula C17H13BrN2O6 and molecular weight 420.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
Also Known As: BAS 00381959, 2-{3-nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate, [2-(3-nitrophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate, A1188/0054868, (4-Bromo-benzoylamino)-acetic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C17H13BrN2O6 |
|---|---|
| Molecular Weight | 420.00 g/mol |
| LogP | 2.5132 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.9957 |
| Heavy Atoms | 26 |
| Complexity | 850.58655 |
Chemical Identifiers
| CAS Number | 312947-29-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate (CAS 312947-29-8), with molecular formula C17H13BrN2O6 and molecular weight 420.00 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
Chemical Property Profile of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate
Property Insights of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate
The XLogP value of 2.5132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate. Following Lipinski's Rule of Five, 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate 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-bromobenzoyl)amino]acetate?
The CAS number of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate is 312947-29-8.
What is the molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate?
The molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate is C17H13BrN2O6.
What is the molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate?
The molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate is 420.00 g/mol.
Where can I buy 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate?
You can request a quote for 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate 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-bromobenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-Nitrophenyl}-2-oxoethyl [(4-bromobenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.