1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one
TL;DR: 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 28714-62-7) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6,6-tetramethyl-5,7-dihydroindazol-4-one
Also Known As: 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one, J2.856.796K, 1,3,6,6-tetramethyl-5,7-dihydroindazol-4-one, 1,3,6,6-tetramethyl-4,5,6,7-tetrahydro-1H-indazol-4-one, 1,3,6,6-tetramethyl-1H-5,6,7-trihydroindazol-4-one
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 1.88362 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 401.6652 |
Chemical Identifiers
| CAS Number | 28714-62-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C |
Product Overview
1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 28714-62-7), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 1,3,6,6-tetramethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one
Property Insights of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one
The XLogP value of 1.88362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one. With a topological polar surface area (TPSA) of 34.89 Ų, 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-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 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one?
The CAS number of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one is 28714-62-7.
What is the molecular formula of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one?
The molecular formula of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one is C11H16N2O.
What is the molecular weight of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one?
The molecular weight of 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one is 192.13 g/mol.
Where can I buy 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one?
You can request a quote for 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6,6-tetramethyl-6,7-dihydro-1H-indazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.