1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate
TL;DR: 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate (CAS 136229-96-4) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3-methyl-2-oxido-5-phenylpyrazol-2-ium
Also Known As: 2-Methoxy-3-amino-4-picoline, 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate, 1-hydroxy-3-methyl-2-oxido-5-phenylpyrazol-2-ium, 1H-Pyrazole,1-hydroxy-3-methyl-5-phenyl-, 2-oxide, 5-methyl-3-phenyl-1H-pyrazol-1-ol 2-oxide
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.33422 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 448.6456 |
Chemical Identifiers
| CAS Number | 136229-96-4 |
|---|---|
| SMILES | CC1=[N+](N(C(=C1)C2=CC=CC=C2)O)[O-] |
Product Overview
1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate (CAS 136229-96-4), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 1-hydroxy-3-methyl-2-oxido-5-phenylpyrazol-2-ium.
Chemical Property Profile of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate
Property Insights of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate
The XLogP value of 1.33422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate. With a topological polar surface area (TPSA) of 52.1 Ų, 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate has 1 hydrogen bond donor(s) and 2 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 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate?
The CAS number of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate is 136229-96-4.
What is the molecular formula of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate?
The molecular formula of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate is C10H10N2O2.
What is the molecular weight of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate?
The molecular weight of 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate is 190.07 g/mol.
Where can I buy 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate?
You can request a quote for 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-ium-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.