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11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one
TL;DR: 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one (CAS 20752-92-5) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-azatricyclo[4.4.2.01,6]dodec-3-en-12-one
Also Known As: RCL T169684, 1,6-Tetramethylen-8-oxo-7-aza-bicycloocten-(3), 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one, 1,2,3,4,5,8-hexahydro-4a,8a-(epiminomethano)naphthalen-9-one
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 20752-92-5 |
|---|---|
| SMILES | C1CCC23CC=CCC2(C1)C(=O)N3 |
| InChIKey | FIOCGJCOBITCLG-UHFFFAOYSA-N |
Product Overview
11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one (CAS 20752-92-5), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 11-azatricyclo[4.4.2.01,6]dodec-3-en-12-one.
Chemical Property Profile of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one
Property Insights of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one. With a topological polar surface area (TPSA) of 29.1 Ų, 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one has 1 hydrogen bond donor(s) and 1 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 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one?
The CAS number of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one is 20752-92-5.
What is the molecular formula of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one?
The molecular formula of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one is C11H15NO.
What is the molecular weight of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one?
The molecular weight of 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one is 177.12 g/mol.
Where can I buy 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one?
You can request a quote for 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one?
Yes, KEHONG BIO provides custom synthesis services for 11-Azatricyclo[4.4.2.01,6]dodec-3-en-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.