3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)
TL;DR: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) (CAS 93841-80-6) is a chemical compound with molecular formula C11H13IN2O and molecular weight 316.01 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;hydroiodide
Also Known As: Antipyrine hydriodide, EINECS 299-052-7, 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one monohydroiodide, 1,5-dimethyl-2-phenylpyrazol-3-one hydroiodide, 1,5-dimethyl-2-phenylpyrazol-3-one,hydroiodide
| Molecular Formula | C11H13IN2O |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 2.10242 |
| Topological Polar Surface Area | 26.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.00726 |
| Heavy Atoms | 15 |
| Complexity | 499.05164 |
Chemical Identifiers
| CAS Number | 93841-80-6 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2.I |
Product Overview
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) (CAS 93841-80-6), with molecular formula C11H13IN2O and molecular weight 316.01 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazol-3-one;hydroiodide.
Chemical Property Profile of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)
Property Insights of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)
The XLogP value of 2.10242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1). With a topological polar surface area (TPSA) of 26.93 Ų, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) has 0 hydrogen bond donor(s) and 1 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-, hydriodide (1:1)?
The CAS number of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) is 93841-80-6.
What is the molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)?
The molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) is C11H13IN2O.
What is the molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)?
The molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) is 316.01 g/mol.
Where can I buy 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1)?
You can request a quote for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (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-, hydriodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, hydriodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.