2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid
TL;DR: 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid (CAS 6201-74-7) is a chemical compound with molecular formula C11H10N2O7S and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid
Also Known As: 1- -3-methyl-5-pyrazolone, 1-(2-HYDROXY-3-CARBOXY-5-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE, 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid, 2-Hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-5-sulfobenzoic acid, Salicylic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-5-sulfo-
| Molecular Formula | C11H10N2O7S |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 0.12452 |
| Topological Polar Surface Area | 149.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.02087 |
| Heavy Atoms | 21 |
| Complexity | 891.78094 |
Chemical Identifiers
| CAS Number | 6201-74-7 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC(=CC(=C2O)C(=O)O)S(=O)(=O)O |
Product Overview
2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid (CAS 6201-74-7), with molecular formula C11H10N2O7S and molecular weight 314.02 g/mol. IUPAC: 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid.
Chemical Property Profile of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid
Property Insights of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid
The XLogP value of 0.12452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid. The TPSA of 149.69 Ų indicates high polarity, suggesting 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid has 4 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 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid?
The CAS number of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid is 6201-74-7.
What is the molecular formula of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid?
The molecular formula of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid is C11H10N2O7S.
What is the molecular weight of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid?
The molecular weight of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid is 314.02 g/mol.
Where can I buy 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid?
You can request a quote for 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.