![2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid structure](/static/products/3142/314290-19-2.webp)
2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
TL;DR: 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314290-19-2) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid, 2-[[5-Methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid, 2-[(2E)-2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzoic acid, 2-[(2Z)-2-[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid, 2-[2-[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 5.01954 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1315.168 |
Chemical Identifiers
| CAS Number | 314290-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C)N=NC4=CC=CC=C4C(=O)O |
Product Overview
2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314290-19-2), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: 2-[[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
Property Insights of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
The XLogP value of 5.01954 indicates that 2-(2-{3-methyl-1-[4-(4-methylphenyl)-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 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid. Following Lipinski's Rule of Five, 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The CAS number of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 314290-19-2.
What is the molecular formula of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular formula of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is C21H17N5O3S.
What is the molecular weight of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular weight of 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 419.11 g/mol.
Where can I buy 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
You can request a quote for 2-(2-{3-methyl-1-[4-(4-methylphenyl)-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 2-(2-{3-methyl-1-[4-(4-methylphenyl)-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 2-(2-{3-methyl-1-[4-(4-methylphenyl)-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.