2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate
TL;DR: 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate (CAS 582298-00-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate
Also Known As: 2,5-dimethyl-1-phenyl-pyrazole-3-carboxylate, J2.860.058E, 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate, 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate, 1-Phenyl-2,5-dimethyl-1H-pyrazole-2-ium-3-carboxylate
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | -0.02628 |
| Topological Polar Surface Area | 48.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 529.45184 |
Chemical Identifiers
| CAS Number | 582298-00-8 |
|---|---|
| SMILES | CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)[O-] |
Product Overview
2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate (CAS 582298-00-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate.
Chemical Property Profile of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate
Property Insights of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate
The XLogP value of -0.02628 indicates that 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.94 Ų, 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate has 0 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 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate?
The CAS number of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate is 582298-00-8.
What is the molecular formula of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate?
The molecular formula of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate is C12H12N2O2.
What is the molecular weight of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate?
The molecular weight of 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate is 216.09 g/mol.
Where can I buy 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate?
You can request a quote for 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1-phenylpyrazol-2-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.