![4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3390/339020-77-8.webp)
4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 339020-77-8) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)iminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one, 4-{[(4-nitrophenyl)amino]methylidene}-4,5-dihydro-1H-pyrazol-5-one, 8B-074, 4-[(4-nitroanilino)methylene]-1H-pyrazol-5-one, 4-[(4-nitroanilino)methylidene]-1H-pyrazol-5-one
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 1.3618 |
| Topological Polar Surface Area | 104.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 608.98126 |
Chemical Identifiers
| CAS Number | 339020-77-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=CNNC2=O)[N+](=O)[O-] |
Product Overview
4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 339020-77-8), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 4-[(4-nitrophenyl)iminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.3618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 104.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one has 2 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 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 339020-77-8.
What is the molecular formula of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is C10H8N4O3.
What is the molecular weight of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 232.06 g/mol.
Where can I buy 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-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 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-nitroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.