![N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide structure](/static/products/898/898454-82-5.png)
N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
TL;DR: N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898454-82-5) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
Also Known As: N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide, N1-(2-(1H-indol-3-yl)ethyl)-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide, 3-[2-(N-2-oxo-2a-aza-1,2,4,5-tetrahydro-3H-acenaphthylen-7-ylcarbamoylcarbonylamino)ethyl]indole, N-[2-(1H-indol-3-yl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 2.3006 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1180.405 |
Chemical Identifiers
| CAS Number | 898454-82-5 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)NC(=O)C(=O)NCCC4=CNC5=CC=CC=C54)CC(=O)N3C1 |
Product Overview
N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898454-82-5), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.
Chemical Property Profile of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
Property Insights of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
The XLogP value of 2.3006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide. Following Lipinski's Rule of Five, N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide has 3 hydrogen bond donor(s) and 3 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 N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide?
The CAS number of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 898454-82-5.
What is the molecular formula of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide?
The molecular formula of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is C23H22N4O3.
What is the molecular weight of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide?
The molecular weight of N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 402.17 g/mol.
Where can I buy N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide?
You can request a quote for N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N'-[2-(1H-indol-3-yl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.