4,4-Dimethyl-2-phenylpyrazol-3-one
TL;DR: 4,4-Dimethyl-2-phenylpyrazol-3-one (CAS 17694-06-3) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4,4-dimethyl-2-phenylpyrazol-3-one, 2-Pyrazolin-5-one, 4,4-dimethyl-1-phenyl-, 2,4-Dihydro-4,4-dimethyl-2-phenyl-3H-pyrazol-3-one, 4,4-dimethyl-1-phenyl-1H-pyrazol-5(4H)-one, 4,4-dimethyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 17694-06-3 |
|---|---|
| SMILES | CC1(C=NN(C1=O)C2=CC=CC=C2)C |
| InChIKey | CDJKTJRGELREMK-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-2-phenylpyrazol-3-one (CAS 17694-06-3), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 4,4-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4,4-Dimethyl-2-phenylpyrazol-3-one
Property Insights of 4,4-Dimethyl-2-phenylpyrazol-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-phenylpyrazol-3-one. With a topological polar surface area (TPSA) of 32.7 Ų, 4,4-Dimethyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-phenylpyrazol-3-one 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 4,4-Dimethyl-2-phenylpyrazol-3-one?
The CAS number of 4,4-Dimethyl-2-phenylpyrazol-3-one is 17694-06-3.
What is the molecular formula of 4,4-Dimethyl-2-phenylpyrazol-3-one?
The molecular formula of 4,4-Dimethyl-2-phenylpyrazol-3-one is C11H12N2O.
What is the molecular weight of 4,4-Dimethyl-2-phenylpyrazol-3-one?
The molecular weight of 4,4-Dimethyl-2-phenylpyrazol-3-one is 188.09 g/mol.
Where can I buy 4,4-Dimethyl-2-phenylpyrazol-3-one?
You can request a quote for 4,4-Dimethyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.