2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate (CAS 331269-84-2) is a chemical compound with molecular formula C18H15Br2ClN2O4 and molecular weight 515.91 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-amino-3-bromo-5-chloroanilino)-4-oxobutanoate
Also Known As: BAS 00368444, [2-(4-bromophenyl)-2-oxoethyl] 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate, 2-(4-bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate, 2-(4-bromophenyl)-2-oxoethyl 4-((4-amino-3-bromo-5-chlorophenyl)amino)-4-oxobutanoate, 2-(4-bromophenyl)-2-oxoethyl 4-[(4-amino-3-bromo-5-chlorophenyl)amino]-4-oxobutanoate
| Molecular Formula | C18H15Br2ClN2O4 |
|---|---|
| Molecular Weight | 515.91 g/mol |
| LogP | 4.592 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.9087 |
| Heavy Atoms | 27 |
| Complexity | 849.1605 |
Chemical Identifiers
| CAS Number | 331269-84-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)CCC(=O)NC2=CC(=C(C(=C2)Br)N)Cl)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate (CAS 331269-84-2), with molecular formula C18H15Br2ClN2O4 and molecular weight 515.91 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate
The XLogP value of 4.592 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate is 331269-84-2.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate is C18H15Br2ClN2O4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate is 515.91 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-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-amino-3-bromo-5-chloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-(4-amino-3-bromo-5-chloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.