5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid
TL;DR: 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid (CAS 84968-80-9) is a chemical compound with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
Also Known As: 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid, 1H-Pyrazole-4-acetic acid, 5-hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-, 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid, (2-(6-Methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid, [2-(6-Methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acid
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.71942 |
| Topological Polar Surface Area | 97.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 921.951 |
Chemical Identifiers
| CAS Number | 84968-80-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)OC)CC(=O)O |
Product Overview
5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid (CAS 84968-80-9), with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol. IUPAC: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid.
Chemical Property Profile of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid
Property Insights of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid
The XLogP value of 1.71942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid. The TPSA of 97.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid. Following Lipinski's Rule of Five, 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid has 2 hydrogen bond donor(s) and 5 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 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid?
The CAS number of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid is 84968-80-9.
What is the molecular formula of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid?
The molecular formula of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid is C14H13N3O4S.
What is the molecular weight of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid?
The molecular weight of 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid is 319.06 g/mol.
Where can I buy 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid?
You can request a quote for 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-1-(6-methoxy-2-benzothiazolyl)-3-methyl-1H-pyrazole-4-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.