4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone
TL;DR: 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone (CAS 111570-63-9) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one
Also Known As: 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone, 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-, (6E)-4-(1,3-benzodioxol-5-yl)-6-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2,3a,4,5-tetrahydro-1H-indazol-3-one, (6E)-4-benzo[1,3]dioxol-5-yl-6-(2,4-dimethoxy-6-oxo-1-cyclohexa-2,4-di enylidene)-2,3a,4,5-tetrahydr, 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one
Technical Specifications
| Molecular Formula | C22H20N2O6 |
| Molecular Weight | 408.13214 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.13214 Da |
| Heavy Atoms | 30 |
| Complexity | 739.0 |
| SMILES | COC1=CC(=C(C(=C1)OC)C2=CC3=NNC(=O)C3C(C2)C4=CC5=C(C=C4)OCO5)O |
| InChIKey | PARAJVFQZBQLAV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone
Property Insights of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone?
The CAS number of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone is 111570-63-9.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone is C22H20N2O6.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone is 408.13214 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.