![N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide structure](/static/products/314/314763-64-9.png)
N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide
TL;DR: N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide (CAS 314763-64-9) is a chemical compound with molecular formula C19H17N7O4S and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]-N-methylacetamide
Also Known As: N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide, N-(4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)-N-methylacetamide, N-[4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]phenyl]-N-methylacetamide, N-[4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]phenyl]-N-methylacetamide
| Molecular Formula | C19H17N7O4S |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 3.2414 |
| Topological Polar Surface Area | 151.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.10626 |
| Heavy Atoms | 31 |
| Complexity | 1243.7559 |
Chemical Identifiers
| CAS Number | 314763-64-9 |
|---|---|
| SMILES | CC(=O)N(C)C1=CC=C(C=C1)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide (CAS 314763-64-9), with molecular formula C19H17N7O4S and molecular weight 439.11 g/mol. IUPAC: N-[4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]-N-methylacetamide.
Chemical Property Profile of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide
Property Insights of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide
The XLogP value of 3.2414 indicates that N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.98 Ų indicates high polarity, suggesting N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide has 2 hydrogen bond donor(s) and 7 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 N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide?
The CAS number of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide is 314763-64-9.
What is the molecular formula of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide?
The molecular formula of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide is C19H17N7O4S.
What is the molecular weight of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide?
The molecular weight of N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide is 439.11 g/mol.
Where can I buy N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide?
You can request a quote for N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}phenyl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.