![2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid structure](/static/products/314/314760-29-7.png)
2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
TL;DR: 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid (CAS 314760-29-7) is a chemical compound with molecular formula C17H12N6O5S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid, 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]benzoic Acid, 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid, (E)-2-(2-(1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzoic acid, 2-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C17H12N6O5S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 2.9569 |
| Topological Polar Surface Area | 168.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.059 |
| Heavy Atoms | 29 |
| Complexity | 1211.7966 |
Chemical Identifiers
| CAS Number | 314760-29-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid (CAS 314760-29-7), with molecular formula C17H12N6O5S and molecular weight 412.06 g/mol. IUPAC: 2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Property Insights of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
The XLogP value of 2.9569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid. The TPSA of 168.97 Ų indicates high polarity, suggesting 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid has 3 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 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid?
The CAS number of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid is 314760-29-7.
What is the molecular formula of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid?
The molecular formula of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid is C17H12N6O5S.
What is the molecular weight of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid?
The molecular weight of 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid is 412.06 g/mol.
Where can I buy 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid?
You can request a quote for 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.