3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 16315-16-5) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-one
Also Known As: 3,6,6-TRIMETHYL-1,5,6,7-TETRAHYDRO-4H-INDAZOL-4-ONE, 3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-one, 3,6,6-trimethyl-6,7-dihydro-1H-indazol-4(5H)-one, 3,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one, 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3,6,6-trimethyl-
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.87322 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 363.00168 |
Chemical Identifiers
| CAS Number | 16315-16-5 |
|---|---|
| SMILES | CC1=C2C(=NN1)CC(CC2=O)(C)C |
Product Overview
3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 16315-16-5), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: 3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-one.
Chemical Property Profile of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 1.87322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one. With a topological polar surface area (TPSA) of 45.75 Ų, 3,6,6-Trimethyl-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-1,5,6,7-tetrahydro-4H-indazol-4-one has 1 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-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 16315-16-5.
What is the molecular formula of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is C10H14N2O.
What is the molecular weight of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 178.11 g/mol.
Where can I buy 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 3,6,6-Trimethyl-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-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.