2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate
TL;DR: 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate (CAS 41106-71-2) is a chemical compound with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrobenzoyl)oxyethyl 4-nitrobenzoate
Also Known As: 2- oxyethyl4-nitrobenzoate, 2-(4-nitrobenzoyl)oxyethyl 4-nitrobenzoate, ethylene glycol di-para-nitrobenzoate, Ethane-1,2-diyl bis(4-nitrobenzoate), 2-[(4-Nitrobenzoyl)oxy]ethyl 4-nitrobenzoate
| Molecular Formula | C16H12N2O8 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.05936 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 41106-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PLCJVXNGSALRQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate (CAS 41106-71-2), with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol. IUPAC: 2-(4-nitrobenzoyl)oxyethyl 4-nitrobenzoate.
Chemical Property Profile of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate
Property Insights of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate
The XLogP value of 3.0 indicates that 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate 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 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate?
The CAS number of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate is 41106-71-2.
What is the molecular formula of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate?
The molecular formula of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate is C16H12N2O8.
What is the molecular weight of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate?
The molecular weight of 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate is 360.06 g/mol.
Where can I buy 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate?
You can request a quote for 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrobenzoyl)oxyethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.