2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate (CAS 331269-55-7) is a chemical compound with molecular formula C18H15BrN2O6 and molecular weight 434.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate
Also Known As: BAS 00368394, 2-(4-bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate, [2-(4-bromophenyl)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate, N-(4-Nitro-phenyl)-succinamic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester, 2-(4-bromophenyl)-2-oxoethyl 3-[N-(4-nitrophenyl)carbamoyl]propanoate
| Molecular Formula | C18H15BrN2O6 |
|---|---|
| Molecular Weight | 434.01 g/mol |
| LogP | 3.5021 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.01135 |
| Heavy Atoms | 27 |
| Complexity | 849.1605 |
Chemical Identifiers
| CAS Number | 331269-55-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate (CAS 331269-55-7), with molecular formula C18H15BrN2O6 and molecular weight 434.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate
The XLogP value of 3.5021 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate 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-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate 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-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate is 331269-55-7.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate is C18H15BrN2O6.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate is 434.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate 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 4-{4-nitroanilino}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-{4-nitroanilino}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.