1,2-乙二醇1-硝酸酯
TL;DR: 1,2-乙二醇1-硝酸酯 (CAS 16051-48-2) is a chemical compound with molecular formula C2H5NO4 and molecular weight 107.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-乙二醇1-硝酸酯
2-hydroxyethyl nitrate
Also Known As: 2-Hydroxyethyl nitrate, Ethylene glycol mononitrate, Ethyleneglycol mononitrate, 1,2-Ethanediol, mononitrate, 2-(Nitrooxy)ethanol
| Molecular Formula | C2H5NO4 |
|---|---|
| Molecular Weight | 107.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.02186 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 16051-48-2 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])O |
| InChIKey | HTKIMWYSDZQQBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-乙二醇1-硝酸酯 (CAS 16051-48-2), with molecular formula C2H5NO4 and molecular weight 107.02 g/mol. IUPAC: 2-hydroxyethyl nitrate.
Chemical Property Profile of 1,2-乙二醇1-硝酸酯
Property Insights of 1,2-乙二醇1-硝酸酯
The XLogP value of -0.2 indicates that 1,2-乙二醇1-硝酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-乙二醇1-硝酸酯. Following Lipinski's Rule of Five, 1,2-乙二醇1-硝酸酯 has 1 hydrogen bond donor(s) and 4 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 1,2-乙二醇1-硝酸酯?
The CAS number of 1,2-乙二醇1-硝酸酯 is 16051-48-2.
What is the molecular formula of 1,2-乙二醇1-硝酸酯?
The molecular formula of 1,2-乙二醇1-硝酸酯 is C2H5NO4.
What is the molecular weight of 1,2-乙二醇1-硝酸酯?
The molecular weight of 1,2-乙二醇1-硝酸酯 is 107.02 g/mol.
Where can I buy 1,2-乙二醇1-硝酸酯?
You can request a quote for 1,2-乙二醇1-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 1,2-乙二醇1-硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-乙二醇1-硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.