Diethyl 2-(2,4-dinitrophenyl)propanedioate
TL;DR: Diethyl 2-(2,4-dinitrophenyl)propanedioate (CAS 7400-10-4) is a chemical compound with molecular formula C13H14N2O8 and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,4-dinitrophenyl)propanedioate
Also Known As: Diethyl 2-(2,4-dinitrophenyl)malonate, diethyl(2,4-dinitrophenyl)malonate, diethyl 2-(2,4-dinitrophenyl)propanedioate, diethyl (2,4-dinitrophenyl)propanedioate, J1.821.338I
| Molecular Formula | C13H14N2O8 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.075 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 7400-10-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC |
| InChIKey | YSRUGWMANDAALR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(2,4-dinitrophenyl)propanedioate (CAS 7400-10-4), with molecular formula C13H14N2O8 and molecular weight 326.07 g/mol. IUPAC: diethyl 2-(2,4-dinitrophenyl)propanedioate.
Chemical Property Profile of Diethyl 2-(2,4-dinitrophenyl)propanedioate
Property Insights of Diethyl 2-(2,4-dinitrophenyl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2,4-dinitrophenyl)propanedioate. The TPSA of 144.0 Ų indicates high polarity, suggesting Diethyl 2-(2,4-dinitrophenyl)propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2-(2,4-dinitrophenyl)propanedioate has 0 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 2-(2,4-dinitrophenyl)propanedioate?
The CAS number of Diethyl 2-(2,4-dinitrophenyl)propanedioate is 7400-10-4.
What is the molecular formula of Diethyl 2-(2,4-dinitrophenyl)propanedioate?
The molecular formula of Diethyl 2-(2,4-dinitrophenyl)propanedioate is C13H14N2O8.
What is the molecular weight of Diethyl 2-(2,4-dinitrophenyl)propanedioate?
The molecular weight of Diethyl 2-(2,4-dinitrophenyl)propanedioate is 326.07 g/mol.
Where can I buy Diethyl 2-(2,4-dinitrophenyl)propanedioate?
You can request a quote for Diethyl 2-(2,4-dinitrophenyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(2,4-dinitrophenyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2,4-dinitrophenyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.