![4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid structure](/static/products/3147/314760-24-2.webp)
4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid
TL;DR: 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid (CAS 314760-24-2) is a chemical compound with molecular formula C17H12N6O6S and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid
Also Known As: 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid, 4-{(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2-hydroxybenzoic acid, 4-({[1-(aminothioxomethyl)-3-(4-nitrophenyl)-5-oxo(1,2-diazolin-4-ylidene)]aza methyl}amino)-2-hydroxybenzoic acid, 4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-hydroxybenzoic acid, 4-[2-(1-(aminocarbothioyl)-3-{4-nitrophenyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]-2-hydroxybenzoic acid
| Molecular Formula | C17H12N6O6S |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 2.6625 |
| Topological Polar Surface Area | 189.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0539 |
| Heavy Atoms | 30 |
| Complexity | 1260.7333 |
Chemical Identifiers
| CAS Number | 314760-24-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=S)N)N=NC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-] |
Product Overview
4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid (CAS 314760-24-2), with molecular formula C17H12N6O6S and molecular weight 428.05 g/mol. IUPAC: 4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid
Property Insights of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid
The XLogP value of 2.6625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid. The TPSA of 189.2 Ų indicates high polarity, suggesting 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid has 4 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 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid?
The CAS number of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid is 314760-24-2.
What is the molecular formula of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid?
The molecular formula of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid is C17H12N6O6S.
What is the molecular weight of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid?
The molecular weight of 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid is 428.05 g/mol.
Where can I buy 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid?
You can request a quote for 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.