Diethyl 2-(2-nitro-1-phenylethyl)malonate
TL;DR: Diethyl 2-(2-nitro-1-phenylethyl)malonate (CAS 22975-21-9) is a chemical compound with molecular formula C15H19NO6 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-nitro-1-phenylethyl)propanedioate
Also Known As: diethyl 2-(2-nitro-1-phenylethyl)malonate, Baclofen impurity 43, 1,3-diethyl 2-(2-nitro-1-phenylethyl)propanedioate, diethyl 2-(2-nitro-1-phenylethyl)propanedioate, propanedioicacid,2-,1,3-diethylester
| Molecular Formula | C15H19NO6 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.12125 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 22975-21-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)OCC |
| InChIKey | VQKSJEVJSPWVIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(2-nitro-1-phenylethyl)malonate (CAS 22975-21-9), with molecular formula C15H19NO6 and molecular weight 309.12 g/mol. IUPAC: diethyl 2-(2-nitro-1-phenylethyl)propanedioate.
Chemical Property Profile of Diethyl 2-(2-nitro-1-phenylethyl)malonate
Property Insights of Diethyl 2-(2-nitro-1-phenylethyl)malonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2-nitro-1-phenylethyl)malonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(2-nitro-1-phenylethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(2-nitro-1-phenylethyl)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-(2-nitro-1-phenylethyl)malonate?
The CAS number of Diethyl 2-(2-nitro-1-phenylethyl)malonate is 22975-21-9.
What is the molecular formula of Diethyl 2-(2-nitro-1-phenylethyl)malonate?
The molecular formula of Diethyl 2-(2-nitro-1-phenylethyl)malonate is C15H19NO6.
What is the molecular weight of Diethyl 2-(2-nitro-1-phenylethyl)malonate?
The molecular weight of Diethyl 2-(2-nitro-1-phenylethyl)malonate is 309.12 g/mol.
Where can I buy Diethyl 2-(2-nitro-1-phenylethyl)malonate?
You can request a quote for Diethyl 2-(2-nitro-1-phenylethyl)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-(2-nitro-1-phenylethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-nitro-1-phenylethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.