3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one (CAS 1024383-06-9) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one
Also Known As: 3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one, 3-benzo[d]1,3-dioxolen-5-yl-1,6,6-trimethyl-5,6,7-trihydro1H-indazol-4-one, 3-benzo[1,3]dioxol-5-yl-1,6,6-trimethyl-5,7-dihydroindazol-4-one, 3-(2H-1,3-benzodioxol-5-yl)-1,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one, 3-(2H-1,3-BENZODIOXOL-5-YL)-1,6,6-TRIMETHYL-5,7-DIHYDROINDAZOL-4-ONE
Technical Specifications
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.13174 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.13174 Da |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
| SMILES | CC1(CC2=C(C(=O)C1)C(=NN2C)C3=CC4=C(C=C3)OCO4)C |
| InChIKey | JJRPTXVPSZXWSI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one. With a topological polar surface area (TPSA) of 53.4 Ų, 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one is 1024383-06-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one is C17H18N2O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one is 298.13174 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.