![(4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide structure](/static/products/314/314759-44-9.png)
(4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 314759-44-9) is a chemical compound with molecular formula C17H13N7O5S and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methyl-3-nitrophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(4-methyl-3-nitrophenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide, (4E)-4-[(4-methyl-3-nitrophenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(4-methyl-3-nitro-phenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide
| Molecular Formula | C17H13N7O5S |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 3.47532 |
| Topological Polar Surface Area | 174.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0699 |
| Heavy Atoms | 30 |
| Complexity | 1260.4917 |
Chemical Identifiers
| CAS Number | 314759-44-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 314759-44-9), with molecular formula C17H13N7O5S and molecular weight 427.07 g/mol. IUPAC: 4-[(4-methyl-3-nitrophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 3.47532 indicates that (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.81 Ų indicates high polarity, suggesting (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 8 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-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 314759-44-9.
What is the molecular formula of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H13N7O5S.
What is the molecular weight of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 427.07 g/mol.
Where can I buy (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.