RefChem:528524
TL;DR: RefChem:528524 (CAS 6201-75-8) is a chemical compound with molecular formula C17H14N2O9S2 and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid
Also Known As: 5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acid, 2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid, 5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid, 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl]sulphonyl]salicylic acid, 2-hydroxy-5-{[2-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)-4-sulfophenyl]sulfonyl}benzoic acid
| Molecular Formula | C17H14N2O9S2 |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.01407 |
| Heavy Atoms | 30 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 6201-75-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O |
| InChIKey | SQFSKKWFISMBPH-UHFFFAOYSA-N |
Product Overview
RefChem:528524 (CAS 6201-75-8), with molecular formula C17H14N2O9S2 and molecular weight 454.01 g/mol. IUPAC: 2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid.
Chemical Property Profile of RefChem:528524
Property Insights of RefChem:528524
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:528524. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:528524 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:528524 has 3 hydrogen bond donor(s) and 10 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 RefChem:528524?
The CAS number of RefChem:528524 is 6201-75-8.
What is the molecular formula of RefChem:528524?
The molecular formula of RefChem:528524 is C17H14N2O9S2.
What is the molecular weight of RefChem:528524?
The molecular weight of RefChem:528524 is 454.01 g/mol.
Where can I buy RefChem:528524?
You can request a quote for RefChem:528524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:528524?
Yes, KEHONG BIO provides custom synthesis services for RefChem:528524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.