5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide
TL;DR: 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide (CAS 20244-55-7) is a chemical compound with molecular formula C4H8NO6P and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: 2-hydroxy-5-methyl-5-nitro-1,3,2, 5-methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide, 2-Hydroxy-5-methyl-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one, 2-hydroxy-5-methyl-5-nitro-1,3,2lambda5-dioxaphosphinane 2-oxide
| Molecular Formula | C4H8NO6P |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.00893 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 20244-55-7 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)O)[N+](=O)[O-] |
| InChIKey | BBNWVQWEQDOVJL-UHFFFAOYSA-N |
Product Overview
5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide (CAS 20244-55-7), with molecular formula C4H8NO6P and molecular weight 197.01 g/mol. IUPAC: 2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide
Property Insights of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide
The XLogP value of -1.2 indicates that 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide. Following Lipinski's Rule of Five, 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide has 1 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 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide?
The CAS number of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide is 20244-55-7.
What is the molecular formula of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide?
The molecular formula of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide is C4H8NO6P.
What is the molecular weight of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide?
The molecular weight of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide is 197.01 g/mol.
Where can I buy 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide?
You can request a quote for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.