![5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/488/488131-08-4.png)
5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 488131-08-4) is a chemical compound with molecular formula C18H23FN2O and molecular weight 302.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 04917047, 5,7-diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,3S,5r,7r)-5,7-diethyl-2-(2-fluorophenyl)-1,3-diazaadamantan-6-one, 5,7-Diethyl-2-(2-fluoro-phenyl)-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
| Molecular Formula | C18H23FN2O |
|---|---|
| Molecular Weight | 302.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.17944 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 488131-08-4 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C3C4=CC=CC=C4F)CC |
| InChIKey | BJXHGMUFAVPXBZ-UHFFFAOYSA-N |
Product Overview
5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 488131-08-4), with molecular formula C18H23FN2O and molecular weight 302.18 g/mol. IUPAC: 5,7-diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. With a topological polar surface area (TPSA) of 23.6 Ų, 5,7-Diethyl-2-(2-fluorophenyl)-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, 5,7-Diethyl-2-(2-fluorophenyl)-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
Frequently Asked Questions
What is the CAS number of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 488131-08-4.
What is the molecular formula of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C18H23FN2O.
What is the molecular weight of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 302.18 g/mol.
Where can I buy 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Diethyl-2-(2-fluorophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Diethyl-2-(2-fluorophenyl)-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.