Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate
TL;DR: Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate (CAS 71722-01-5) is a chemical compound with molecular formula C18H24N2O8 and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(2-ethoxy-5-nitrophenyl)methyl]propanedioate
Also Known As: diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate, Ethanone,1-[4-[3-(trifluoromethyl)phenoxy]phenyl], diethyl 2-acetamido-2-[(2-ethoxy-5-nitrophenyl)methyl]propanedioate, Diethyl acetamido[(2-ethoxy-5-nitrophenyl)methyl]propanedioate, Propanedioicacid, 2-(acetylamino)-2-[(2-ethoxy-5-nitrophenyl)methyl]-, 1,3-diethyl ester
| Molecular Formula | C18H24N2O8 |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.15326 |
| Heavy Atoms | 28 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 71722-01-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])CC(C(=O)OCC)(C(=O)OCC)NC(=O)C |
| InChIKey | HZQMVDICLYLZHX-UHFFFAOYSA-N |
Product Overview
Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate (CAS 71722-01-5), with molecular formula C18H24N2O8 and molecular weight 396.15 g/mol. IUPAC: diethyl 2-acetamido-2-[(2-ethoxy-5-nitrophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate
Property Insights of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate has 1 hydrogen bond donor(s) and 8 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(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate?
The CAS number of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate is 71722-01-5.
What is the molecular formula of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate?
The molecular formula of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate is C18H24N2O8.
What is the molecular weight of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate?
The molecular weight of Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate is 396.15 g/mol.
Where can I buy Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate?
You can request a quote for Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.