4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid
TL;DR: 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid (CAS 384367-09-3) is a chemical compound with molecular formula C18H13N3O4S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-3-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid, 4-(1,3-benzothiazol-2-yl)-5-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-3-carboxylic acid, 4-(benzo[d]thiazol-2-yl)-3-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-5-carboxylic, 4-(benzo[d]thiazol-2-yl)-3-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid, 4-benzothiazol-2-yl-3-(2,4-dihydroxy-3-methylphenyl)pyrazole-5-carboxylic acid
| Molecular Formula | C18H13N3O4S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 3.77122 |
| Topological Polar Surface Area | 119.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.06268 |
| Heavy Atoms | 26 |
| Complexity | 1129.6703 |
Chemical Identifiers
| CAS Number | 384367-09-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C2=NNC(=C2C3=NC4=CC=CC=C4S3)C(=O)O)O |
Product Overview
4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid (CAS 384367-09-3), with molecular formula C18H13N3O4S and molecular weight 367.06 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-3-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid
Property Insights of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid
The XLogP value of 3.77122 indicates that 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid has 4 hydrogen bond donor(s) and 6 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-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid?
The CAS number of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid is 384367-09-3.
What is the molecular formula of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid is C18H13N3O4S.
What is the molecular weight of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid is 367.06 g/mol.
Where can I buy 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazol-2-yl-5-(2,4-dihydroxy-3-methyl-phenyl)-2H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.