3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)
TL;DR: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) (CAS 20776-03-8) is a chemical compound with molecular formula C11H13ClN2O5 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenylpyrazol-3-one;perchloric acid
Also Known As: Antipyrine, monoperchlorate, Antipyrine monoperchlorate, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, monoperchlorate, 1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one perchlorate(1:1), 1,5-dimethyl-2-phenylpyrazol-3-one; perchloric acid
| Molecular Formula | C11H13ClN2O5 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | -2.64 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0513 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 20776-03-8 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2.OCl(=O)(=O)=O |
| InChIKey | PIKBDZMATGLGQA-UHFFFAOYSA-N |
Product Overview
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) (CAS 20776-03-8), with molecular formula C11H13ClN2O5 and molecular weight 288.05 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazol-3-one;perchloric acid.
Chemical Property Profile of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)
Property Insights of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)
The XLogP value of -2.64 indicates that 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1). Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) has 1 hydrogen bond donor(s) and 6 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 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)?
The CAS number of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) is 20776-03-8.
What is the molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)?
The molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) is C11H13ClN2O5.
What is the molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)?
The molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) is 288.05 g/mol.
Where can I buy 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)?
You can request a quote for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, perchlorate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.