Trolnitrate
TL;DR: Trolnitrate (CAS 7077-34-1) is a chemical compound with molecular formula C6H12N4O9 and molecular weight 284.06 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
Also Known As: Trolnitrate, BENTONITE, Trolnitrato, Trolnitratum, trolnitrat
| Molecular Formula | C6H12N4O9 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.06042 |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 7077-34-1 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-] |
| InChIKey | HWKQNAWCHQMZHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trolnitrate (CAS 7077-34-1), with molecular formula C6H12N4O9 and molecular weight 284.06 g/mol. IUPAC: 2-[bis(2-nitrooxyethyl)amino]ethyl nitrate.
Chemical Property Profile of Trolnitrate
Property Insights of Trolnitrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trolnitrate. The TPSA of 168.0 Ų indicates high polarity, suggesting Trolnitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trolnitrate has 0 hydrogen bond donor(s) and 10 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 Trolnitrate?
The CAS number of Trolnitrate is 7077-34-1.
What is the molecular formula of Trolnitrate?
The molecular formula of Trolnitrate is C6H12N4O9.
What is the molecular weight of Trolnitrate?
The molecular weight of Trolnitrate is 284.06 g/mol.
Where can I buy Trolnitrate?
You can request a quote for Trolnitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trolnitrate?
Yes, KEHONG BIO provides custom synthesis services for Trolnitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.