2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole
TL;DR: 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole (CAS 55734-10-6) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Also Known As: 2-acetyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one, 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole, 2-Acetyl-3,6,6-trimethyl-2,5,6,7-tetrahydro-4H-indazol-4-one, 4H-Indazol-4-one, 2-acetyl-2,5,6,7-tetrahydro-3,6,6-trimethyl-
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.00672 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 483.45337 |
Chemical Identifiers
| CAS Number | 55734-10-6 |
|---|---|
| SMILES | CC1=C2C(=NN1C(=O)C)CC(CC2=O)(C)C |
Product Overview
2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole (CAS 55734-10-6), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 2-acetyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole
Property Insights of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole
The XLogP value of 2.00672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole. With a topological polar surface area (TPSA) of 51.96 Ų, 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole has 0 hydrogen bond donor(s) and 3 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 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole?
The CAS number of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole is 55734-10-6.
What is the molecular formula of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole?
The molecular formula of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole is C12H16N2O2.
What is the molecular weight of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole?
The molecular weight of 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole is 220.12 g/mol.
Where can I buy 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole?
You can request a quote for 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-3,6,6-trimethyl-4-oxo-2H-5,6,7-trihydroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.