Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)
TL;DR: Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) (CAS 21825-16-1) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]methyl]anilino]-2-oxoacetate
Also Known As: diethyl2,2'-[methylenebis]bis[2-oxoacetate], diethyl2,2'-[methylenebis ]bis[2-oxoacetate], diethyl 2,2'-[methylenebis(4,1-phenyleneimino)]bis(oxoacetate), DIETHYL 2,2'-[METHYLENEBIS(4,1-PHENYLENEIMINO)]BIS[2-OXOACETATE], Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 21825-16-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C(=O)OCC |
| InChIKey | JHSMNLKVPVZMKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) (CAS 21825-16-1), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: ethyl 2-[4-[[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]methyl]anilino]-2-oxoacetate.
Chemical Property Profile of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)
Property Insights of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)
The XLogP value of 3.5 indicates that Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate). Following Lipinski's Rule of Five, Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) has 2 hydrogen bond donor(s) and 6 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 Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)?
The CAS number of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) is 21825-16-1.
What is the molecular formula of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)?
The molecular formula of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) is C21H22N2O6.
What is the molecular weight of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)?
The molecular weight of Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) is 398.15 g/mol.
Where can I buy Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)?
You can request a quote for Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(methylenebis(4,1-phenyleneimino))bis(2-oxoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.