3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 442643-10-9) is a chemical compound with molecular formula C17H20N2O and molecular weight 268.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-1-(2-methylphenyl)-5,7-dihydroindazol-4-one
Also Known As: starbld0025456, BAS 05305703, 3,6,6-trimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one, BRD-K18187783-001-01-1, 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
| Molecular Formula | C17H20N2O |
|---|---|
| Molecular Weight | 268.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.15756 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 442643-10-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(C(=N2)C)C(=O)CC(C3)(C)C |
| InChIKey | CEQHOPZYRCRTMN-UHFFFAOYSA-N |
Product Overview
3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 442643-10-9), with molecular formula C17H20N2O and molecular weight 268.16 g/mol. IUPAC: 3,6,6-trimethyl-1-(2-methylphenyl)-5,7-dihydroindazol-4-one.
Chemical Property Profile of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 3.6 indicates that 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one has 0 hydrogen bond donor(s) and 2 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 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 442643-10-9.
What is the molecular formula of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is C17H20N2O.
What is the molecular weight of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 268.16 g/mol.
Where can I buy 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-Trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.