1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
TL;DR: 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- (CAS 108790-71-2) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 00334684, 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-, 2-ethyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5,7-Dimethyl-2-ethyl-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, AE-848/31945020
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 0.949 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 285.5838 |
Chemical Identifiers
| CAS Number | 108790-71-2 |
|---|---|
| SMILES | CCC1N2CC3(CN1CC(C2)(C3=O)C)C |
Product Overview
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- (CAS 108790-71-2), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: 2-ethyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
Property Insights of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
The XLogP value of 0.949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-. With a topological polar surface area (TPSA) of 23.55 Ų, 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- 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 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-?
The CAS number of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- is 108790-71-2.
What is the molecular formula of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-?
The molecular formula of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- is C12H20N2O.
What is the molecular weight of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-?
The molecular weight of 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- is 208.16 g/mol.
Where can I buy 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-?
You can request a quote for 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.