![(4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one structure](/static/products/4288/428852-39-5.webp)
(4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
TL;DR: (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 428852-39-5) is a chemical compound with molecular formula C19H17ClN4O3 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[N-(4-chloro-2-methylphenyl)-C-methylcarbonimidoyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, (4E)-4-{1-[(4-chloro-2-methylphenyl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, (E)-4-(1-((4-chloro-2-methylphenyl)amino)ethylidene)-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one, 4-[(E)-1-(4-CHLORO-2-METHYLANILINO)ETHYLIDENE]-5-METHYL-2-(4-NITROPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C19H17ClN4O3 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 4.48474 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.0989 |
| Heavy Atoms | 27 |
| Complexity | 1110.9738 |
Chemical Identifiers
| CAS Number | 428852-39-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N=C(C)C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
(4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 428852-39-5), with molecular formula C19H17ClN4O3 and molecular weight 384.10 g/mol. IUPAC: 4-[N-(4-chloro-2-methylphenyl)-C-methylcarbonimidoyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Property Insights of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
The XLogP value of 4.48474 indicates that (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-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 (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The CAS number of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 428852-39-5.
What is the molecular formula of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular formula of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is C19H17ClN4O3.
What is the molecular weight of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular weight of (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 384.10 g/mol.
Where can I buy (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
You can request a quote for (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[1-(4-chloro-2-methylanilino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.