丙二醇二硝酸酯
TL;DR: 丙二醇二硝酸酯 (CAS 6423-43-4) is a chemical compound with molecular formula C3H6N2O6 and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二醇二硝酸酯
1-nitrooxypropan-2-yl nitrate
Also Known As: Propylene nitrate, Propylene glycol dinitrate, Isopropylene nitrate, Propylene dinitrate, PGDN
| Molecular Formula | C3H6N2O6 |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.02258 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| Melting Point | -7.8 °C |
| Boiling Point | 121 °C (decomposes) |
| Density | 1.23 at 25.0 °C |
| Solubility | 0.1 % (NIOSH, 2024) |
| Vapor Pressure | 0.07 mmHg at 22.2 °C |
Chemical Identifiers
| CAS Number | 6423-43-4 |
|---|---|
| SMILES | CC(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | PSXCGTLGGVDWFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙二醇二硝酸酯 (CAS 6423-43-4), with molecular formula C3H6N2O6 and molecular weight 166.02 g/mol. IUPAC: 1-nitrooxypropan-2-yl nitrate.
Chemical Property Profile of 丙二醇二硝酸酯
Property Insights of 丙二醇二硝酸酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙二醇二硝酸酯. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙二醇二硝酸酯. Following Lipinski's Rule of Five, 丙二醇二硝酸酯 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 丙二醇二硝酸酯?
The CAS number of 丙二醇二硝酸酯 is 6423-43-4.
What is the molecular formula of 丙二醇二硝酸酯?
The molecular formula of 丙二醇二硝酸酯 is C3H6N2O6.
What is the molecular weight of 丙二醇二硝酸酯?
The molecular weight of 丙二醇二硝酸酯 is 166.02 g/mol.
Where can I buy 丙二醇二硝酸酯?
You can request a quote for 丙二醇二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二醇二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二醇二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.