6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
TL;DR: 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one (CAS 331965-92-5) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
Also Known As: BAS 00701631, 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one, 6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 6,6-Dimethyl-3-propyl-1,5,6,7-tetrahydro-indazol-4-one, 6,6-dimethyl-3-propyl-6,7-dihydro-1H-indazol-4(5H)-one
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 2.5173 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 390.32642 |
Chemical Identifiers
| CAS Number | 331965-92-5 |
|---|---|
| SMILES | CCCC1=NNC2=C1C(=O)CC(C2)(C)C |
Product Overview
6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one (CAS 331965-92-5), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one.
Chemical Property Profile of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
Property Insights of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
The XLogP value of 2.5173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one. With a topological polar surface area (TPSA) of 45.75 Ų, 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-dimethyl-3-propyl-5,7-dihydro-1H-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 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The CAS number of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one is 331965-92-5.
What is the molecular formula of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The molecular formula of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one is C12H18N2O.
What is the molecular weight of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The molecular weight of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one is 206.14 g/mol.
Where can I buy 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
You can request a quote for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-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 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.