![Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate structure](/static/products/5906/5906-77-4.webp)
Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate
TL;DR: Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate (CAS 5906-77-4) is a chemical compound with molecular formula C17H13BrN2O5 and molecular weight 404.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-2-(4-bromoanilino)-4-(4-nitrophenyl)-4-oxobut-2-enoate
Also Known As: BAS 01157174, BIM-0012986.P001, methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate, methyl (Z)-2-(4-bromoanilino)-4-(4-nitrophenyl)-4-oxobut-2-enoate, 2-(4-Bromo-phenylamino)-4-(4-nitro-phenyl)-4-oxo-but-2-enoic acid methyl ester
| Molecular Formula | C17H13BrN2O5 |
|---|---|
| Molecular Weight | 404.00 g/mol |
| LogP | 3.709 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0008 |
| Heavy Atoms | 25 |
| Complexity | 829.12164 |
Chemical Identifiers
| CAS Number | 5906-77-4 |
|---|---|
| SMILES | COC(=O)/C(=C/C(=O)C1=CC=C(C=C1)[N+](=O)[O-])/NC2=CC=C(C=C2)Br |
Product Overview
Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate (CAS 5906-77-4), with molecular formula C17H13BrN2O5 and molecular weight 404.00 g/mol. IUPAC: methyl (Z)-2-(4-bromoanilino)-4-(4-nitrophenyl)-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate
Property Insights of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate
The XLogP value of 3.709 indicates that Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate 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 Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate?
The CAS number of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate is 5906-77-4.
What is the molecular formula of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate?
The molecular formula of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate is C17H13BrN2O5.
What is the molecular weight of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate?
The molecular weight of Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate is 404.00 g/mol.
Where can I buy Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate?
You can request a quote for Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-bromophenyl)amino]-4-(4-nitrophenyl)-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.