![3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one structure](/static/products/116/1164555-28-5.png)
3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one
TL;DR: 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one (CAS 1164555-28-5) is a chemical compound with molecular formula C16H13BrN2O3 and molecular weight 360.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-bromo-4-nitroanilino)-1-(4-methylphenyl)prop-2-en-1-one
Also Known As: (E)-3-((2-bromo-4-nitrophenyl)amino)-1-(p-tolyl)prop-2-en-1-one, (E)-3-(2-bromo-4-nitroanilino)-1-(4-methylphenyl)prop-2-en-1-one, 3-[(2-bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one
| Molecular Formula | C16H13BrN2O3 |
|---|---|
| Molecular Weight | 360.01 g/mol |
| LogP | 4.47422 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.01096 |
| Heavy Atoms | 22 |
| Complexity | 739.55615 |
Chemical Identifiers
| CAS Number | 1164555-28-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=C(C=C2)[N+](=O)[O-])Br |
Product Overview
3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one (CAS 1164555-28-5), with molecular formula C16H13BrN2O3 and molecular weight 360.01 g/mol. IUPAC: (E)-3-(2-bromo-4-nitroanilino)-1-(4-methylphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one
Property Insights of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one
The XLogP value of 4.47422 indicates that 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one. Following Lipinski's Rule of Five, 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one 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 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one?
The CAS number of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one is 1164555-28-5.
What is the molecular formula of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one?
The molecular formula of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one is C16H13BrN2O3.
What is the molecular weight of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one?
The molecular weight of 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one is 360.01 g/mol.
Where can I buy 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one?
You can request a quote for 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Bromo-4-nitrophenyl)amino]-1-(4-methylphenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.