![1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one structure](/static/products/156/156245-58-8.png)
1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one
TL;DR: 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one (CAS 156245-58-8) is a chemical compound with molecular formula C11H7NO and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one
Also Known As: Pyroquilon, pyrrolo[3,2,1-ij]quinolin-4-one, 4H-Pyrrolo[3,2,1-ij]quinoline-4-one, J2.731.226H, 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-11-one
| Molecular Formula | C11H7NO |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.05276 |
| Heavy Atoms | 13 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 156245-58-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CN3C(=O)C=C2 |
| InChIKey | LDDPHVYIALRFNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one (CAS 156245-58-8), with molecular formula C11H7NO and molecular weight 169.05 g/mol. IUPAC: 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one.
Chemical Property Profile of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one
Property Insights of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one has 0 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 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one?
The CAS number of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one is 156245-58-8.
What is the molecular formula of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one?
The molecular formula of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one is C11H7NO.
What is the molecular weight of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one?
The molecular weight of 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one is 169.05 g/mol.
Where can I buy 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one?
You can request a quote for 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.