![N'-[2-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide structure](/static/products/898/898426-96-5.png)
N'-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898426-96-5) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide, N1-(2-methoxyphenethyl)-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide, N-[2-(2-methoxyphenyl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 1.8279 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 986.0178 |
Chemical Identifiers
| CAS Number | 898426-96-5 |
|---|---|
| SMILES | COC1=CC=CC=C1CCNC(=O)C(=O)NC2=CC3=C4C(=C2)CC(=O)N4CCC3 |
Product Overview
N'-[2-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898426-96-5), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: N-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)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 1.8279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[2-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide has 2 hydrogen bond donor(s) and 4 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-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 898426-96-5.
What is the molecular formula of N'-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is C22H23N3O4.
What is the molecular weight of N'-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 393.17 g/mol.
Where can I buy N'-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)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.