1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one
TL;DR: 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one (CAS 3118-16-9) 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.
9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
Also Known As: 9-azatricyclo[6.2.2.0,2,7]dodeca-2,4,6-trien-10-one, 1,4-Ethanoisoquinolin-3(2H)-one, 1,4-dihydro-, 9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one, 1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalen-9-one, 9-azatricyclo[6.2.2.0?,?]dodeca-2,4,6-trien-10-one
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 3118-16-9 |
|---|---|
| SMILES | C1CC2C3=CC=CC=C3C1C(=O)N2 |
| InChIKey | BPBPNUGGTKXXAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one (CAS 3118-16-9), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one
Property Insights of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-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 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one?
The CAS number of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one is 3118-16-9.
What is the molecular formula of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one?
The molecular formula of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one is C11H11NO.
What is the molecular weight of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one?
The molecular weight of 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one is 173.08 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one?
You can request a quote for 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.