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Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate
TL;DR: Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate (CAS 67205-89-4) is a chemical compound with molecular formula C16H20N2O7 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(4-nitrophenyl)methyl]propanedioate
Also Known As: diethyl(acetylamino)(4-nitrobenzyl)propanedioate, Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate, diethyl 2-acetamido-2-[(4-nitrophenyl)methyl]propanedioate, diethyl 2-(acetylamino)-2-(4-nitrobenzyl)malonate, Propanedioic acid,2-(acetylamino)-2-[(4-nitrophenyl)methyl]-, 1,3-diethyl ester
| Molecular Formula | C16H20N2O7 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.12704 |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 67205-89-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)NC(=O)C |
| InChIKey | WNUVFEVPHDQZBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate (CAS 67205-89-4), with molecular formula C16H20N2O7 and molecular weight 352.13 g/mol. IUPAC: diethyl 2-acetamido-2-[(4-nitrophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate
Property Insights of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate. Following Lipinski's Rule of Five, Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate has 1 hydrogen bond donor(s) and 7 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 acetamido[(4-nitrophenyl)methyl]propanedioate?
The CAS number of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate is 67205-89-4.
What is the molecular formula of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate?
The molecular formula of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate is C16H20N2O7.
What is the molecular weight of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate?
The molecular weight of Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate is 352.13 g/mol.
Where can I buy Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate?
You can request a quote for Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetamido[(4-nitrophenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.