![[1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate structure](/static/products/666/66634-67-1.png)
[1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate
TL;DR: [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate (CAS 66634-67-1) is a chemical compound with molecular formula C9H12N4O13 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3,3-tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate
Also Known As: Ex209, 2,2,5,5-Tetrakis(hydroxymethyl)-cyclopentanone tetranitrate, Cyclopentanone, 2,2,5,5-tetrakis[(nitrooxy)methyl]-, [1,3,3-tris(nitrooxymethyl)-2-oxo-cyclopentyl]methyl Nitrate, [1,3,3-tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate
| Molecular Formula | C9H12N4O13 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | -0.8447 |
| Topological Polar Surface Area | 226.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 384.0401 |
| Heavy Atoms | 26 |
| Complexity | 520.4221 |
Chemical Identifiers
| CAS Number | 66634-67-1 |
|---|---|
| SMILES | C1CC(C(=O)C1(CO[N+](=O)[O-])CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
Product Overview
[1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate (CAS 66634-67-1), with molecular formula C9H12N4O13 and molecular weight 384.04 g/mol. IUPAC: [1,3,3-tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate.
Chemical Property Profile of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate
Property Insights of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate
The XLogP value of -0.8447 indicates that [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.55 Ų indicates high polarity, suggesting [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate?
The CAS number of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate is 66634-67-1.
What is the molecular formula of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate?
The molecular formula of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate is C9H12N4O13.
What is the molecular weight of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate?
The molecular weight of [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate is 384.04 g/mol.
Where can I buy [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate?
You can request a quote for [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for [1,3,3-Tris(nitrooxymethyl)-2-oxocyclopentyl]methyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.