2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one
TL;DR: 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one (CAS 53921-72-5) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
Also Known As: 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one, 4,6,7,8-Tetrahydro-1H,3H-quinoline-2,5-dione, 5-Azatricyclo[6.3.1.0,4,12]dodeca-1(12),8,10-trien-2-one, 2a,3,4,5-Tetrahydro-1H-3-azaacenaphthylen-1-one, 2,3,8,8a-tetrahydrocyclopenta[ij]isoquinolin-7(1H)-one
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 1.4598 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 383.6767 |
Chemical Identifiers
| CAS Number | 53921-72-5 |
|---|---|
| SMILES | C1CNC2CC(=O)C3=CC=CC1=C23 |
Product Overview
2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one (CAS 53921-72-5), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one.
Chemical Property Profile of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one
Property Insights of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one
The XLogP value of 1.4598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one has 1 hydrogen bond donor(s) and 2 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 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one?
The CAS number of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one is 53921-72-5.
What is the molecular formula of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one?
The molecular formula of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one is C11H11NO.
What is the molecular weight of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one?
The molecular weight of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one is 173.08 g/mol.
Where can I buy 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one?
You can request a quote for 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.