4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone
TL;DR: 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone (CAS 50413-17-7) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[5,5-dimethyl-1-(4-methylphenyl)pyrazolidin-3-ylidene]oxolane-2,3-dione
Also Known As: 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone, 2(5H)-Furanone, 4-(4,5-dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-, (4E)-4-[5,5-dimethyl-1-(4-methylphenyl)pyrazolidin-3-ylidene]oxolane-2,3-dione, BRN 1006468
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 1.86832 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 643.99084 |
Chemical Identifiers
| CAS Number | 50413-17-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(C/C(=C\3/COC(=O)C3=O)/N2)(C)C |
Product Overview
4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone (CAS 50413-17-7), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: (4E)-4-[5,5-dimethyl-1-(4-methylphenyl)pyrazolidin-3-ylidene]oxolane-2,3-dione.
Chemical Property Profile of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone
Property Insights of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone
The XLogP value of 1.86832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone. With a topological polar surface area (TPSA) of 58.64 Ų, 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone 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-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone?
The CAS number of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone is 50413-17-7.
What is the molecular formula of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone?
The molecular formula of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone is C16H18N2O3.
What is the molecular weight of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone?
The molecular weight of 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone is 286.13 g/mol.
Where can I buy 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone?
You can request a quote for 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone 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-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,5-Dihydro-5,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-3-yl)-3-hydroxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.