![4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid structure](/static/products/3142/314291-30-0.webp)
4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
TL;DR: 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314291-30-0) is a chemical compound with molecular formula C20H14N6O5S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid, 4-[[5-Methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid, 4-{2-[(4E)-3-METHYL-1-[4-(3-NITROPHENYL)-1,3-THIAZOL-2-YL]-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]HYDRAZIN-1-YL}BENZOIC ACID, 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-2H-pyrazol-4-yl}diazen-1-yl)benzoic acid, 4-[(2Z)-2-[3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C20H14N6O5S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.61932 |
| Topological Polar Surface Area | 155.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.07465 |
| Heavy Atoms | 32 |
| Complexity | 1417.0106 |
Chemical Identifiers
| CAS Number | 314291-30-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314291-30-0), with molecular formula C20H14N6O5S and molecular weight 450.07 g/mol. IUPAC: 4-[[5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
Property Insights of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
The XLogP value of 4.61932 indicates that 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.84 Ų indicates high polarity, suggesting 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid 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 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The CAS number of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 314291-30-0.
What is the molecular formula of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular formula of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is C20H14N6O5S.
What is the molecular weight of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular weight of 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 450.07 g/mol.
Where can I buy 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
You can request a quote for 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic 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-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.