1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine
TL;DR: 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine (CAS 21036-67-9) is a chemical compound with molecular formula C6H11N2O5P and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: 2,3-dihydrobenzofuran-4-aldehyde, KST-1B1638, 1-(5-methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine, 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2, 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2lambda5-dioxaphosphinane
| Molecular Formula | C6H11N2O5P |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04056 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 21036-67-9 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)N2CC2)[N+](=O)[O-] |
| InChIKey | OVSMZRJGZOZYFR-UHFFFAOYSA-N |
Product Overview
1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine (CAS 21036-67-9), with molecular formula C6H11N2O5P and molecular weight 222.04 g/mol. IUPAC: 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine
Property Insights of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine
The XLogP value of -0.7 indicates that 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine. Following Lipinski's Rule of Five, 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine 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 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine?
The CAS number of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine is 21036-67-9.
What is the molecular formula of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine?
The molecular formula of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine is C6H11N2O5P.
What is the molecular weight of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine?
The molecular weight of 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine is 222.04 g/mol.
Where can I buy 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine?
You can request a quote for 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-5-nitro-2-oxido-1,3,2-dioxaphosphinan-2-yl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.