Trolnitrate phosphate
TL;DR: Trolnitrate phosphate (CAS 588-42-1) is a chemical compound with molecular formula C6H18N4O17P2 and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-nitrooxyethyl)amino]ethyl nitrate;phosphoric acid
Also Known As: Metamine, Nitretamin, TROLNITRATE PHOSPHATE, Nitrocardiol, Praenitrona
| Molecular Formula | C6H18N4O17P2 |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.01422 |
| Heavy Atoms | 29 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 588-42-1 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | UOCLRXFKRLRMKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trolnitrate phosphate (CAS 588-42-1), with molecular formula C6H18N4O17P2 and molecular weight 480.01 g/mol. IUPAC: 2-[bis(2-nitrooxyethyl)amino]ethyl nitrate;phosphoric acid.
Chemical Property Profile of Trolnitrate phosphate
Property Insights of Trolnitrate phosphate
The XLogP value of -2.94 indicates that Trolnitrate phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 324.0 Ų indicates high polarity, suggesting Trolnitrate phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trolnitrate phosphate has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trolnitrate phosphate?
The CAS number of Trolnitrate phosphate is 588-42-1.
What is the molecular formula of Trolnitrate phosphate?
The molecular formula of Trolnitrate phosphate is C6H18N4O17P2.
What is the molecular weight of Trolnitrate phosphate?
The molecular weight of Trolnitrate phosphate is 480.01 g/mol.
Where can I buy Trolnitrate phosphate?
You can request a quote for Trolnitrate phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trolnitrate phosphate?
Yes, KEHONG BIO provides custom synthesis services for Trolnitrate phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.