Bis(2,2-dinitropropyl)acetal
TL;DR: Bis(2,2-dinitropropyl)acetal (CAS 5108-69-0) is a chemical compound with molecular formula C8H14N4O10 and molecular weight 326.07 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
Also Known As: Bis(2,2-dinitropropyl)acetal, BIS- ACETAL, 1,1-Bis(2,2-dinitropropoxy)ethane, Ethanone bis(2,2-dinitropropyl)acetal, 1-[1-(2,2-dinitropropoxy)ethoxy]-2,2-dinitropropane
| Molecular Formula | C8H14N4O10 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.07098 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 5108-69-0 |
|---|---|
| SMILES | CC(OCC(C)([N+](=O)[O-])[N+](=O)[O-])OCC(C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SIKUYNMGWKGHRS-UHFFFAOYSA-N |
Product Overview
Bis(2,2-dinitropropyl)acetal (CAS 5108-69-0), with molecular formula C8H14N4O10 and molecular weight 326.07 g/mol. IUPAC: 1-[1-(2,2-dinitropropoxy)ethoxy]-2,2-dinitropropane.
Chemical Property Profile of Bis(2,2-dinitropropyl)acetal
Property Insights of Bis(2,2-dinitropropyl)acetal
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2,2-dinitropropyl)acetal. The TPSA of 202.0 Ų indicates high polarity, suggesting Bis(2,2-dinitropropyl)acetal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2,2-dinitropropyl)acetal 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 Bis(2,2-dinitropropyl)acetal?
The CAS number of Bis(2,2-dinitropropyl)acetal is 5108-69-0.
What is the molecular formula of Bis(2,2-dinitropropyl)acetal?
The molecular formula of Bis(2,2-dinitropropyl)acetal is C8H14N4O10.
What is the molecular weight of Bis(2,2-dinitropropyl)acetal?
The molecular weight of Bis(2,2-dinitropropyl)acetal is 326.07 g/mol.
Where can I buy Bis(2,2-dinitropropyl)acetal?
You can request a quote for Bis(2,2-dinitropropyl)acetal 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?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,2-dinitropropyl)acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.