Bis-(2,2-dinitropropyl)acetal mixture with formal
TL;DR: Bis-(2,2-dinitropropyl)acetal mixture with formal (CAS 80456-53-7) is a chemical compound with molecular formula C15H26N8O20 and molecular weight 638.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,2-dinitropropoxy)ethoxy]-2,2-dinitropropane;1-(2,2-dinitropropoxymethoxy)-2,2-dinitropropane
Also Known As: Nitroplasticizer, BDNPA/F, Bis-(2,2-dinitropropyl)acetal Mixture With Formal, Bis-(2,2-dinitropropyl)acetal/formal mixture, Propane, 1,1'-(ethylidenebis(oxy))bis(2,2-dinitro-, mixt. with 1,1'-(methylenebis(oxy))bis(2,2-dinitropropane)
| Molecular Formula | C15H26N8O20 |
|---|---|
| Molecular Weight | 638.13 g/mol |
| LogP | -0.5789 |
| Topological Polar Surface Area | 403.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 638.12634 |
| Heavy Atoms | 43 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 80456-53-7 |
|---|---|
| SMILES | CC(OCC(C)([N+](=O)[O-])[N+](=O)[O-])OCC(C)([N+](=O)[O-])[N+](=O)[O-].CC(COCOCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LSLGCKBDVWXMSH-UHFFFAOYSA-N |
Product Overview
Bis-(2,2-dinitropropyl)acetal mixture with formal (CAS 80456-53-7), with molecular formula C15H26N8O20 and molecular weight 638.13 g/mol. IUPAC: 1-[1-(2,2-dinitropropoxy)ethoxy]-2,2-dinitropropane;1-(2,2-dinitropropoxymethoxy)-2,2-dinitropropane.
Chemical Property Profile of Bis-(2,2-dinitropropyl)acetal mixture with formal
Property Insights of Bis-(2,2-dinitropropyl)acetal mixture with formal
The XLogP value of -0.5789 indicates that Bis-(2,2-dinitropropyl)acetal mixture with formal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 403.0 Ų indicates high polarity, suggesting Bis-(2,2-dinitropropyl)acetal mixture with formal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis-(2,2-dinitropropyl)acetal mixture with formal has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis-(2,2-dinitropropyl)acetal mixture with formal?
The CAS number of Bis-(2,2-dinitropropyl)acetal mixture with formal is 80456-53-7.
What is the molecular formula of Bis-(2,2-dinitropropyl)acetal mixture with formal?
The molecular formula of Bis-(2,2-dinitropropyl)acetal mixture with formal is C15H26N8O20.
What is the molecular weight of Bis-(2,2-dinitropropyl)acetal mixture with formal?
The molecular weight of Bis-(2,2-dinitropropyl)acetal mixture with formal is 638.13 g/mol.
Where can I buy Bis-(2,2-dinitropropyl)acetal mixture with formal?
You can request a quote for Bis-(2,2-dinitropropyl)acetal mixture with formal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis-(2,2-dinitropropyl)acetal mixture with formal?
Yes, KEHONG BIO provides custom synthesis services for Bis-(2,2-dinitropropyl)acetal mixture with formal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.