5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid
TL;DR: 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid (CAS 84968-81-0) is a chemical compound with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
Also Known As: 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid, 5-hydroxy-3-methyl-1-1h-pyrazole-4-aceticacid, 1H-Pyrazole-4-acetic acid, 5-hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-, 5-Hydroxy-3-methyl-1- -1H-pyrazole-4-aceticacid, PHTHALIC ANHYDRIDE-4-BORONIC ACID PINACOL ESTER
| Molecular Formula | C13H10N4O5S |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 1.61902 |
| Topological Polar Surface Area | 131.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0372 |
| Heavy Atoms | 23 |
| Complexity | 999.6216 |
Chemical Identifiers
| CAS Number | 84968-81-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)O |
Product Overview
5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid (CAS 84968-81-0), with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol. IUPAC: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid.
Chemical Property Profile of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid
Property Insights of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid
The XLogP value of 1.61902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid. The TPSA of 131.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid. Following Lipinski's Rule of Five, 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid has 2 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 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid?
The CAS number of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid is 84968-81-0.
What is the molecular formula of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid?
The molecular formula of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid is C13H10N4O5S.
What is the molecular weight of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid?
The molecular weight of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid is 334.04 g/mol.
Where can I buy 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid?
You can request a quote for 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-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-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.