2,2-Dinitropropyl acetate
TL;DR: 2,2-Dinitropropyl acetate (CAS 5917-69-1) is a chemical compound with molecular formula C5H8N2O6 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropyl acetate
Also Known As: 2,2-dinitropropyl acetate, Acetic acid 2,2-dinitropropyl ester
| Molecular Formula | C5H8N2O6 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.03824 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5917-69-1 |
|---|---|
| SMILES | CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VNEVTBQGNLOSNA-UHFFFAOYSA-N |
Product Overview
2,2-Dinitropropyl acetate (CAS 5917-69-1), with molecular formula C5H8N2O6 and molecular weight 192.04 g/mol. IUPAC: 2,2-dinitropropyl acetate.
Chemical Property Profile of 2,2-Dinitropropyl acetate
Property Insights of 2,2-Dinitropropyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitropropyl acetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitropropyl acetate. Following Lipinski's Rule of Five, 2,2-Dinitropropyl acetate has 0 hydrogen bond donor(s) and 6 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 2,2-Dinitropropyl acetate?
The CAS number of 2,2-Dinitropropyl acetate is 5917-69-1.
What is the molecular formula of 2,2-Dinitropropyl acetate?
The molecular formula of 2,2-Dinitropropyl acetate is C5H8N2O6.
What is the molecular weight of 2,2-Dinitropropyl acetate?
The molecular weight of 2,2-Dinitropropyl acetate is 192.04 g/mol.
Where can I buy 2,2-Dinitropropyl acetate?
You can request a quote for 2,2-Dinitropropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitropropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.