二缩三乙二醇二硝酸酯
TL;DR: 二缩三乙二醇二硝酸酯 (CAS 111-22-8) is a chemical compound with molecular formula C6H12N2O8 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二缩三乙二醇二硝酸酯
2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
Also Known As: TEGDN, Triethylene glycol dinitrate, TRIETHYLENE GLYCOL, DINITRATE, 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate, 1,2-Bis(2-nitrooxyethoxy)ethane
| Molecular Formula | C6H12N2O8 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.05937 |
| Heavy Atoms | 16 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 111-22-8 |
|---|---|
| SMILES | C(COCCO[N+](=O)[O-])OCCO[N+](=O)[O-] |
| InChIKey | AGCQZYRSTIRJFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二缩三乙二醇二硝酸酯 (CAS 111-22-8), with molecular formula C6H12N2O8 and molecular weight 240.06 g/mol. IUPAC: 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate.
Chemical Property Profile of 二缩三乙二醇二硝酸酯
Property Insights of 二缩三乙二醇二硝酸酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二缩三乙二醇二硝酸酯. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二缩三乙二醇二硝酸酯. Following Lipinski's Rule of Five, 二缩三乙二醇二硝酸酯 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 二缩三乙二醇二硝酸酯?
The CAS number of 二缩三乙二醇二硝酸酯 is 111-22-8.
What is the molecular formula of 二缩三乙二醇二硝酸酯?
The molecular formula of 二缩三乙二醇二硝酸酯 is C6H12N2O8.
What is the molecular weight of 二缩三乙二醇二硝酸酯?
The molecular weight of 二缩三乙二醇二硝酸酯 is 240.06 g/mol.
Where can I buy 二缩三乙二醇二硝酸酯?
You can request a quote for 二缩三乙二醇二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二缩三乙二醇二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二缩三乙二醇二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.