![2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/1087/108790-61-0.webp)
2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 108790-61-0) is a chemical compound with molecular formula C16H19FN2O and molecular weight 274.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 00334588, 2-(4-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 2-(4-fluorophenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-(4-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one, (1S,2S,5R,7S)-2-(4-fluorophenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
Technical Specifications
| Molecular Formula | C16H19FN2O |
| Molecular Weight | 274.14813 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.14813 Da |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)F)C |
| InChIKey | WXTDKIAZAGTGDM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 108790-61-0.
What is the molecular formula of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C16H19FN2O.
What is the molecular weight of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 274.14813 g/mol.
Where can I buy 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-Fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.