![N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide structure](/static/products/898/898411-26-2.png)
N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
TL;DR: N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898411-26-2) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
Also Known As: N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide, N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.5055 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1048.8523 |
Chemical Identifiers
| CAS Number | 898411-26-2 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)NC(=O)C(=O)NCC4=CC5=C(C=C4)OCO5)CC(=O)N3C1 |
Product Overview
N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide (CAS 898411-26-2), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.
Chemical Property Profile of N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
Property Insights of N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide
The XLogP value of 1.5055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-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 5 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'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 898411-26-2.
What is the molecular formula of N'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is C21H19N3O5.
What is the molecular weight of N'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide is 393.13 g/mol.
Where can I buy N'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-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'-[(2H-1,3-benzodioxol-5-yl)methyl]-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.