4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one
TL;DR: 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one (CAS 56198-10-8) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-6-oxa-1-azatricyclo[6.2.2.02,7]dodecan-5-one
Also Known As: AF 3, 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one, 4-ethyl-6-oxa-1-azatricyclo[6.2.2.02,7]dodecan-5-one, 5,8-Ethano-5H-pyrano(3,2-b)pyridin-2(3H)-one, 3-ethylhexahydro-, 3-ethylhexahydro-5,8-ethanopyrano[3,2-b]pyridin-2(3H)-one
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 1.4223 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 270.7957 |
Chemical Identifiers
| CAS Number | 56198-10-8 |
|---|---|
| SMILES | CCC1CC2C(C3CCN2CC3)OC1=O |
Product Overview
4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one (CAS 56198-10-8), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 4-ethyl-6-oxa-1-azatricyclo[6.2.2.02,7]dodecan-5-one.
Chemical Property Profile of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one
Property Insights of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one
The XLogP value of 1.4223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one. With a topological polar surface area (TPSA) of 29.54 Ų, 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-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 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one?
The CAS number of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one is 56198-10-8.
What is the molecular formula of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one?
The molecular formula of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one is C12H19NO2.
What is the molecular weight of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one?
The molecular weight of 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one is 209.14 g/mol.
Where can I buy 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one?
You can request a quote for 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-6-oxa-1-azatricyclo(4.2.2.0)dodecan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.