2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate (CAS 5281-98-1) is a chemical compound with molecular formula C19H18BrNO4 and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate
Also Known As: BAS 00368383, 2-(4-bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate, [2-(4-bromophenyl)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate, 2-(4-Bromophenyl)-2-oxoethyl 4-(3-methylanilino)-4-oxobutanoate, N-m-Tolyl-succinamic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C19H18BrNO4 |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.90232 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.04193 |
| Heavy Atoms | 25 |
| Complexity | 771.2485 |
Chemical Identifiers
| CAS Number | 5281-98-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate (CAS 5281-98-1), with molecular formula C19H18BrNO4 and molecular weight 403.04 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate
The XLogP value of 3.90232 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate 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-oxo-4-(3-toluidino)butanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate 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-oxo-4-(3-toluidino)butanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate is 5281-98-1.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate is C19H18BrNO4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate is 403.04 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate 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-oxo-4-(3-toluidino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-(3-toluidino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.