AO-081/40800219
TL;DR: AO-081/40800219 (CAS 496959-56-9) is a chemical compound with molecular formula C25H28N4O8 and molecular weight 512.19 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'-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
Also Known As: AO-081/40800219, N-(1,3-Benzodioxol-5-ylmethyl)-N'-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide, (E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(3-ethoxy-4-(2-morpholino-2-oxoethoxy)benzylidene)hydrazinyl)-2-oxoacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-{3-ethoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzylidene}hydrazino)-2-oxoacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(2E)-2-{3-ethoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]benzylidene}hydrazinyl]-2-oxoacetamide
| Molecular Formula | C25H28N4O8 |
|---|---|
| Molecular Weight | 512.19 g/mol |
| LogP | 0.8181 |
| Topological Polar Surface Area | 137.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.19073 |
| Heavy Atoms | 37 |
| Complexity | 1163.3759 |
Chemical Identifiers
| CAS Number | 496959-56-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC(=O)N4CCOCC4 |
Product Overview
AO-081/40800219 (CAS 496959-56-9), with molecular formula C25H28N4O8 and molecular weight 512.19 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide.
Chemical Property Profile of AO-081/40800219
Property Insights of AO-081/40800219
The XLogP value of 0.8181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40800219. The TPSA of 137.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40800219. Following Lipinski's Rule of Five, AO-081/40800219 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40800219?
The CAS number of AO-081/40800219 is 496959-56-9.
What is the molecular formula of AO-081/40800219?
The molecular formula of AO-081/40800219 is C25H28N4O8.
What is the molecular weight of AO-081/40800219?
The molecular weight of AO-081/40800219 is 512.19 g/mol.
Where can I buy AO-081/40800219?
You can request a quote for AO-081/40800219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40800219?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40800219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.