4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one
TL;DR: 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one (CAS 50413-16-6) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione
Also Known As: 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone, 4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione, 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one, 2(5H)-FURANONE, 4-(4,5-DIHYDRO-5,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-3-YL)-3-HYDROXY-
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 50413-16-6 |
|---|---|
| SMILES | CC1(CC(=C2COC(=O)C2=O)NN1C3=CC=CC=C3)C |
| InChIKey | RBXWAVKIUGWBLR-UHFFFAOYSA-N |
Product Overview
4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one (CAS 50413-16-6), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione.
Chemical Property Profile of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one
Property Insights of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one. With a topological polar surface area (TPSA) of 58.6 Ų, 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one has 1 hydrogen bond donor(s) and 5 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-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one?
The CAS number of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one is 50413-16-6.
What is the molecular formula of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one?
The molecular formula of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one is C15H16N2O3.
What is the molecular weight of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one?
The molecular weight of 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one is 272.12 g/mol.
Where can I buy 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one?
You can request a quote for 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.