Diethyl 2-(4-nitrobenzylidene)malonate
TL;DR: Diethyl 2-(4-nitrobenzylidene)malonate (CAS 22399-00-4) is a chemical compound with molecular formula C14H15NO6 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-nitrophenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(4-nitrobenzylidene)malonate, diethyl p-nitrobenzylidenemalonate, (p-Nitrobenzylidene)malonic Acid Diethyl Ester, diethyl p-nitrobenzylidene malonate, Diethyl2-(4-nitrobenzylidene)malonate
| Molecular Formula | C14H15NO6 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.08994 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 22399-00-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC |
| InChIKey | KTTWLLFTDRIQEQ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(4-nitrobenzylidene)malonate (CAS 22399-00-4), with molecular formula C14H15NO6 and molecular weight 293.09 g/mol. IUPAC: diethyl 2-[(4-nitrophenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(4-nitrobenzylidene)malonate
Property Insights of Diethyl 2-(4-nitrobenzylidene)malonate
The XLogP value of 3.0 indicates that Diethyl 2-(4-nitrobenzylidene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-nitrobenzylidene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(4-nitrobenzylidene)malonate 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 2-(4-nitrobenzylidene)malonate?
The CAS number of Diethyl 2-(4-nitrobenzylidene)malonate is 22399-00-4.
What is the molecular formula of Diethyl 2-(4-nitrobenzylidene)malonate?
The molecular formula of Diethyl 2-(4-nitrobenzylidene)malonate is C14H15NO6.
What is the molecular weight of Diethyl 2-(4-nitrobenzylidene)malonate?
The molecular weight of Diethyl 2-(4-nitrobenzylidene)malonate is 293.09 g/mol.
Where can I buy Diethyl 2-(4-nitrobenzylidene)malonate?
You can request a quote for Diethyl 2-(4-nitrobenzylidene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-nitrobenzylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-nitrobenzylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.