4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
TL;DR: 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane (CAS 824-11-3) is a chemical compound with molecular formula C6H11O3P and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Also Known As: Trimethylolpropane phosphite, etph, TMPP (phosphite), EPTBO, Ethyl bicyclic phosphite
| Molecular Formula | C6H11O3P |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04459 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
| Melting Point | 56 °C |
| Boiling Point | 200 °C @760 [mm Hg] |
| Vapor Pressure | 0.2 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 824-11-3 |
|---|---|
| SMILES | CCC12COP(OC1)OC2 |
| InChIKey | QRUSNTDXJQBKBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane (CAS 824-11-3), with molecular formula C6H11O3P and molecular weight 162.04 g/mol. IUPAC: 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
Property Insights of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 27.7 Ų, 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 3 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 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane?
The CAS number of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane is 824-11-3.
What is the molecular formula of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane?
The molecular formula of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane is C6H11O3P.
What is the molecular weight of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane?
The molecular weight of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane is 162.04 g/mol.
Where can I buy 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane?
You can request a quote for 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.