Bis(3,3-dinitroazetidin-1-yl)methanone
TL;DR: Bis(3,3-dinitroazetidin-1-yl)methanone (CAS 211429-18-4) is a chemical compound with molecular formula C7H8N6O9 and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,3-dinitroazetidin-1-yl)methanone
Also Known As: Bis(3,3-dinitroazetidin-1-yl)methanone, di(3,3-dinitroazetidinyl) ketone, Azetidine, 1,1'-carbonylbis[3,3-dinitro-, 2-phenanthren-9-yl-4,4-dimethyl-2-oxazoline
| Molecular Formula | C7H8N6O9 |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | -1.763 |
| Topological Polar Surface Area | 196.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.03528 |
| Heavy Atoms | 22 |
| Complexity | 509.26263 |
Chemical Identifiers
| CAS Number | 211429-18-4 |
|---|---|
| SMILES | C1C(CN1C(=O)N2CC(C2)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Bis(3,3-dinitroazetidin-1-yl)methanone (CAS 211429-18-4), with molecular formula C7H8N6O9 and molecular weight 320.04 g/mol. IUPAC: bis(3,3-dinitroazetidin-1-yl)methanone.
Chemical Property Profile of Bis(3,3-dinitroazetidin-1-yl)methanone
Property Insights of Bis(3,3-dinitroazetidin-1-yl)methanone
The XLogP value of -1.763 indicates that Bis(3,3-dinitroazetidin-1-yl)methanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.11 Ų indicates high polarity, suggesting Bis(3,3-dinitroazetidin-1-yl)methanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(3,3-dinitroazetidin-1-yl)methanone has 0 hydrogen bond donor(s) and 9 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(3,3-dinitroazetidin-1-yl)methanone?
The CAS number of Bis(3,3-dinitroazetidin-1-yl)methanone is 211429-18-4.
What is the molecular formula of Bis(3,3-dinitroazetidin-1-yl)methanone?
The molecular formula of Bis(3,3-dinitroazetidin-1-yl)methanone is C7H8N6O9.
What is the molecular weight of Bis(3,3-dinitroazetidin-1-yl)methanone?
The molecular weight of Bis(3,3-dinitroazetidin-1-yl)methanone is 320.04 g/mol.
Where can I buy Bis(3,3-dinitroazetidin-1-yl)methanone?
You can request a quote for Bis(3,3-dinitroazetidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,3-dinitroazetidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,3-dinitroazetidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.