1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
TL;DR: 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) (CAS 71206-95-6) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenylpyrazol-3-yl) hydrogen sulfate
Also Known As: Norantipyrine sulfate, Edaravone sulfate, Edaravone Impurity 13, MCI 186 SULFATE, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 71206-95-6 |
|---|---|
| SMILES | CC1=NN(C(=C1)OS(=O)(=O)O)C2=CC=CC=C2 |
| InChIKey | LXFWRJDNDPUIAY-UHFFFAOYSA-N |
Product Overview
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) (CAS 71206-95-6), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: (5-methyl-2-phenylpyrazol-3-yl) hydrogen sulfate.
Chemical Property Profile of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
Property Insights of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester). The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) has 1 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 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)?
The CAS number of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) is 71206-95-6.
What is the molecular formula of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)?
The molecular formula of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) is C10H10N2O4S.
What is the molecular weight of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)?
The molecular weight of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) is 254.04 g/mol.
Where can I buy 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)?
You can request a quote for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.