1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 36767-58-5) is a chemical compound with molecular formula C16H17FN2O and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Also Known As: A2722/0115634, 1-(4-fluorophenyl)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one, 1-(4-fluorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one, 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-(4-fluorophenyl)-3,6,6-trimethyl-1H-5,6,7-trihydroindazol-4-one
| Molecular Formula | C16H17FN2O |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.13248 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 36767-58-5 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)F |
| InChIKey | UMZHTQSRHUUFHS-UHFFFAOYSA-N |
Product Overview
1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 36767-58-5), with molecular formula C16H17FN2O and molecular weight 272.13 g/mol. IUPAC: 1-(4-fluorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 3.4 indicates that 1-(4-fluorophenyl)-3,6,6-trimethyl-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, 1-(4-fluorophenyl)-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, 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-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-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 36767-58-5.
What is the molecular formula of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is C16H17FN2O.
What is the molecular weight of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 272.13 g/mol.
Where can I buy 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 1-(4-fluorophenyl)-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 1-(4-fluorophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-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.