Diethyl nitromalonate
TL;DR: Diethyl nitromalonate (CAS 603-67-8) is a chemical compound with molecular formula C7H11NO6 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-nitropropanedioate
Also Known As: Diethyl nitromalonate, Diethyl 2-nitromalonate, diethyl 2-nitropropanedioate, Diethyl2-nitromalonate, DIETHYLNITROMALONATE
| Molecular Formula | C7H11NO6 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.05864 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 603-67-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)[N+](=O)[O-] |
| InChIKey | DAKKWKYIQGMKOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl nitromalonate (CAS 603-67-8), with molecular formula C7H11NO6 and molecular weight 205.06 g/mol. IUPAC: diethyl 2-nitropropanedioate.
Chemical Property Profile of Diethyl nitromalonate
Property Insights of Diethyl nitromalonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl nitromalonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl nitromalonate. Following Lipinski's Rule of Five, Diethyl nitromalonate has 0 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 nitromalonate?
The CAS number of Diethyl nitromalonate is 603-67-8.
What is the molecular formula of Diethyl nitromalonate?
The molecular formula of Diethyl nitromalonate is C7H11NO6.
What is the molecular weight of Diethyl nitromalonate?
The molecular weight of Diethyl nitromalonate is 205.06 g/mol.
Where can I buy Diethyl nitromalonate?
You can request a quote for Diethyl nitromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl nitromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl nitromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.