(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
TL;DR: (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate (CAS 51994-08-2) is a chemical compound with molecular formula C9H20O6P2 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
Also Known As: NCI60_015946, (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate, 2-((Diethoxyphosphoryl)oxy)-5,5-dimethyl-1,3,2-dioxaphosphinane, 5,5-DIMETHYL-1,3,2-DIOXAPHOSPHINAN-2-YL DIETHYL PHOSPHATE, 1,3,2-Dioxaphosphorinane, 2-[(diethoxyphosphinyl)oxy]-5,5-dimethyl-
| Molecular Formula | C9H20O6P2 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.07352 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 51994-08-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)OP1OCC(CO1)(C)C |
| InChIKey | ZKAPWMRNCPEOOG-UHFFFAOYSA-N |
Product Overview
(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate (CAS 51994-08-2), with molecular formula C9H20O6P2 and molecular weight 286.07 g/mol. IUPAC: (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate.
Chemical Property Profile of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
Property Insights of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate. Following Lipinski's Rule of Five, (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate 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 (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate?
The CAS number of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate is 51994-08-2.
What is the molecular formula of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate?
The molecular formula of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate is C9H20O6P2.
What is the molecular weight of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate?
The molecular weight of (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate is 286.07 g/mol.
Where can I buy (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate?
You can request a quote for (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for (5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.