5-Nitro-1,3,5-dioxazaperhydroine
TL;DR: 5-Nitro-1,3,5-dioxazaperhydroine (CAS 212248-68-5) is a chemical compound with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,3,5-dioxazinane
Also Known As: 5-nitro-1,3,5-dioxazinane, 5-nitro-1,3,5-dioxazaperhydroine, 4H-1,3,5-Dioxazine, dihydro-5-nitro- (9CI)
| Molecular Formula | C3H6N2O4 |
|---|---|
| Molecular Weight | 134.03 g/mol |
| LogP | -0.6006 |
| Topological Polar Surface Area | 64.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.03276 |
| Heavy Atoms | 9 |
| Complexity | 110.38038 |
Chemical Identifiers
| CAS Number | 212248-68-5 |
|---|---|
| SMILES | C1N(COCO1)[N+](=O)[O-] |
Product Overview
5-Nitro-1,3,5-dioxazaperhydroine (CAS 212248-68-5), with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol. IUPAC: 5-nitro-1,3,5-dioxazinane.
Chemical Property Profile of 5-Nitro-1,3,5-dioxazaperhydroine
Property Insights of 5-Nitro-1,3,5-dioxazaperhydroine
The XLogP value of -0.6006 indicates that 5-Nitro-1,3,5-dioxazaperhydroine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1,3,5-dioxazaperhydroine. Following Lipinski's Rule of Five, 5-Nitro-1,3,5-dioxazaperhydroine has 0 hydrogen bond donor(s) and 4 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 5-Nitro-1,3,5-dioxazaperhydroine?
The CAS number of 5-Nitro-1,3,5-dioxazaperhydroine is 212248-68-5.
What is the molecular formula of 5-Nitro-1,3,5-dioxazaperhydroine?
The molecular formula of 5-Nitro-1,3,5-dioxazaperhydroine is C3H6N2O4.
What is the molecular weight of 5-Nitro-1,3,5-dioxazaperhydroine?
The molecular weight of 5-Nitro-1,3,5-dioxazaperhydroine is 134.03 g/mol.
Where can I buy 5-Nitro-1,3,5-dioxazaperhydroine?
You can request a quote for 5-Nitro-1,3,5-dioxazaperhydroine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1,3,5-dioxazaperhydroine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1,3,5-dioxazaperhydroine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.