2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate (CAS 331269-44-4) is a chemical compound with molecular formula C18H16BrNO4 and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-anilino-4-oxobutanoate
Also Known As: BAS 00368381, 2-(4-bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate, [2-(4-bromophenyl)-2-oxoethyl] 4-anilino-4-oxobutanoate, 2-(4-bromophenyl)-2-oxoethyl 4-oxo-4-(phenylamino)butanoate, 2-(4-bromophenyl)-2-oxoethyl 3-(N-phenylcarbamoyl)propanoate
| Molecular Formula | C18H16BrNO4 |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 3.5939 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.02628 |
| Heavy Atoms | 24 |
| Complexity | 713.5584 |
Chemical Identifiers
| CAS Number | 331269-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate (CAS 331269-44-4), with molecular formula C18H16BrNO4 and molecular weight 389.03 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-anilino-4-oxobutanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate
The XLogP value of 3.5939 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate has 1 hydrogen bond donor(s) and 4 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-anilino-4-oxobutanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate is 331269-44-4.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate is C18H16BrNO4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate is 389.03 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-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-anilino-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-anilino-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.