1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one
TL;DR: 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one (CAS 331966-04-2) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one
Also Known As: IDI1_007085, 1-benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one, BAS 00702070, 1-benzoyl-3-ethyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-Benzoyl-3-ethyl-6,6-dimethyl-1,5,6,7-tetrahydro-indazol-4-one
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 3.2891 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 741.9477 |
Chemical Identifiers
| CAS Number | 331966-04-2 |
|---|---|
| SMILES | CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C(=O)C3=CC=CC=C3 |
Product Overview
1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one (CAS 331966-04-2), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: 1-benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one
Property Insights of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one
The XLogP value of 3.2891 indicates that 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one 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 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one?
The CAS number of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one is 331966-04-2.
What is the molecular formula of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one?
The molecular formula of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one is C18H20N2O2.
What is the molecular weight of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one?
The molecular weight of 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one is 296.15 g/mol.
Where can I buy 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one?
You can request a quote for 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-ethyl-6,6-dimethyl-5,7-dihydroindazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.