![(4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one structure](/static/products/3318/331818-11-2.webp)
(4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one
TL;DR: (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one (CAS 331818-11-2) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00598923, (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one, 5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one, (4Z)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one, 3-methyl-4-{[(3-nitrophenyl)amino]methylene}-1-phenyl-1,2-diazolin-5-one
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.13282 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 971.0008 |
Chemical Identifiers
| CAS Number | 331818-11-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one (CAS 331818-11-2), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: 5-methyl-4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one
Property Insights of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one
The XLogP value of 3.13282 indicates that (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-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)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-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)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one?
The CAS number of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one is 331818-11-2.
What is the molecular formula of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one?
The molecular formula of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one is C17H14N4O3.
What is the molecular weight of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one?
The molecular weight of (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one is 322.11 g/mol.
Where can I buy (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one?
You can request a quote for (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-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)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.