3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime (CAS 1024744-22-6) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-ylidene]hydroxylamine
Also Known As: 3-benzo[d]1,3-dioxolan-5-yl-4-(hydroxyimino)-1,6,6-trimethyl-5,6,7-trihydro1H-indazole, 3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime, N-(3-benzo[1,3]dioxol-5-yl-1,6,6-trimethyl-5,7-dihydroindazol-4-ylidene)hydroxylamine, N-[3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-ylidene]hydroxylamine, (NZ)-N-[3-(1,3-benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-ylidene]hydroxylamine
Technical Specifications
| Molecular Formula | C17H19N3O3 |
| Molecular Weight | 313.14264 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.14264 Da |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
| SMILES | CC1(CC2=C(C(=NO)C1)C(=NN2C)C3=CC4=C(C=C3)OCO4)C |
| InChIKey | ZCYJTLOSIMRJMR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime
The XLogP value of 2.9 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 oxime. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime 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
What is the CAS number of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime is 1024744-22-6.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime is C17H19N3O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime is 313.14264 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime 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 oxime?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1,6,6-trimethyl-5,7-dihydroindazol-4-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.