1,3-Glyceryl dinitrate
TL;DR: 1,3-Glyceryl dinitrate (CAS 623-87-0) is a chemical compound with molecular formula C3H6N2O7 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-nitrooxypropyl) nitrate
Also Known As: 1,3-Dinitroglycerin, 1,3-Dinitroglycerol, 1,3-Glyceryl dinitrate, Glyceryl-1,3-dinitrate, 1,3-Dng
| Molecular Formula | C3H6N2O7 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0175 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| Vapor Pressure | 0.00111 [mmHg] |
Chemical Identifiers
| CAS Number | 623-87-0 |
|---|---|
| SMILES | C(C(CO[N+](=O)[O-])O)O[N+](=O)[O-] |
| InChIKey | ASIGVDLTBLZXNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Glyceryl dinitrate (CAS 623-87-0), with molecular formula C3H6N2O7 and molecular weight 182.02 g/mol. IUPAC: (2-hydroxy-3-nitrooxypropyl) nitrate.
Chemical Property Profile of 1,3-Glyceryl dinitrate
Property Insights of 1,3-Glyceryl dinitrate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Glyceryl dinitrate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Glyceryl dinitrate. Following Lipinski's Rule of Five, 1,3-Glyceryl dinitrate has 1 hydrogen bond donor(s) and 7 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 1,3-Glyceryl dinitrate?
The CAS number of 1,3-Glyceryl dinitrate is 623-87-0.
What is the molecular formula of 1,3-Glyceryl dinitrate?
The molecular formula of 1,3-Glyceryl dinitrate is C3H6N2O7.
What is the molecular weight of 1,3-Glyceryl dinitrate?
The molecular weight of 1,3-Glyceryl dinitrate is 182.02 g/mol.
Where can I buy 1,3-Glyceryl dinitrate?
You can request a quote for 1,3-Glyceryl dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Glyceryl dinitrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Glyceryl dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.