![Diethyl 2-[(4-nitrophenyl)methyl]propanedioate structure](/static/products/7598/7598-70-1.webp)
Diethyl 2-[(4-nitrophenyl)methyl]propanedioate
TL;DR: Diethyl 2-[(4-nitrophenyl)methyl]propanedioate (CAS 7598-70-1) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-nitrophenyl)methyl]propanedioate
Also Known As: Diethyl 2-(4-nitrobenzyl)malonate, diethyl 2-[(4-nitrophenyl)methyl]propanedioate, diethyl (4-nitrobenzyl)malonate, Diethyl2-(4-nitrobenzyl)malonate, Diethyl-2-(4-nitrobenzyl)malonate
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 7598-70-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC |
| InChIKey | DDENYKBUELXLAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-[(4-nitrophenyl)methyl]propanedioate (CAS 7598-70-1), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: diethyl 2-[(4-nitrophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate
Property Insights of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-nitrophenyl)methyl]propanedioate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-nitrophenyl)methyl]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(4-nitrophenyl)methyl]propanedioate 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-nitrophenyl)methyl]propanedioate?
The CAS number of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate is 7598-70-1.
What is the molecular formula of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate?
The molecular formula of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate is C14H17NO6.
What is the molecular weight of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate?
The molecular weight of Diethyl 2-[(4-nitrophenyl)methyl]propanedioate is 295.11 g/mol.
Where can I buy Diethyl 2-[(4-nitrophenyl)methyl]propanedioate?
You can request a quote for Diethyl 2-[(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 2-[(4-nitrophenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-nitrophenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.