(E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one
TL;DR: (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one (CAS 313537-85-8) is a chemical compound with molecular formula C17H12BrN3O3 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(4-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one
Also Known As: (4E)-2-(4-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one, (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one
| Molecular Formula | C17H12BrN3O3 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 4.1634 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0062 |
| Heavy Atoms | 24 |
| Complexity | 870.95874 |
Chemical Identifiers
| CAS Number | 313537-85-8 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br |
Product Overview
(E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one (CAS 313537-85-8), with molecular formula C17H12BrN3O3 and molecular weight 385.01 g/mol. IUPAC: (4E)-2-(4-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one.
Chemical Property Profile of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one
Property Insights of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one
The XLogP value of 4.1634 indicates that (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one has 0 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 (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one?
The CAS number of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one is 313537-85-8.
What is the molecular formula of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one?
The molecular formula of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one is C17H12BrN3O3.
What is the molecular weight of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one?
The molecular weight of (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one is 385.01 g/mol.
Where can I buy (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one?
You can request a quote for (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-bromophenyl)-3-methyl-4-(4-nitrobenzylidene)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.