![2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one structure](/static/products/380/38073-22-2.png)
2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one
TL;DR: 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one (CAS 38073-22-2) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
Also Known As: J1.456.758E, 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one, 1,3,4,5-Tetrahydro-azepino[5,4,3-cd]indol-6-one, 1,3,4,5-Tetrahydro-6H-azepino[5,4,3-cd]indol-6-one, 3,4,5,6-tetrahydro-1h-azepino(5,4,3-cd)indol-6-one
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.4538 |
| Topological Polar Surface Area | 44.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 512.98193 |
Chemical Identifiers
| CAS Number | 38073-22-2 |
|---|---|
| SMILES | C1CNC(=O)C2=C3C1=CNC3=CC=C2 |
Product Overview
2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one (CAS 38073-22-2), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.
Chemical Property Profile of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one
Property Insights of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one
The XLogP value of 1.4538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one. With a topological polar surface area (TPSA) of 44.89 Ų, 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one has 2 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 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one?
The CAS number of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one is 38073-22-2.
What is the molecular formula of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one?
The molecular formula of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one is C11H10N2O.
What is the molecular weight of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one?
The molecular weight of 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one is 186.08 g/mol.
Where can I buy 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one?
You can request a quote for 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,6-Tetrahydro-1H-azepino[5,4,3-cd]indol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.