2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane
TL;DR: 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane (CAS 4579-03-7) is a chemical compound with molecular formula C3H6O3P2 and molecular weight 151.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,7-trioxa-1,4-diphosphabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane, 2,6,7-Trioxa-1,4-diphosphabicyclo[2.2.2]octane, 2,6,7-trioxa-1,4-diphosphabicyclo(2,2,2)octane, 3,5,8-trioxa-1,4-diphosphabicyclo[2.2.2]octane, RefChem:247875
| Molecular Formula | C3H6O3P2 |
|---|---|
| Molecular Weight | 151.98 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.97922 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 4579-03-7 |
|---|---|
| SMILES | C1OP2OCP1CO2 |
| InChIKey | GYXTUDZCBLMUSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane (CAS 4579-03-7), with molecular formula C3H6O3P2 and molecular weight 151.98 g/mol. IUPAC: 2,6,7-trioxa-1,4-diphosphabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane
Property Insights of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane
The XLogP value of -0.4 indicates that 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxa-1,4-diphosphabicyclo(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 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane?
The CAS number of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane is 4579-03-7.
What is the molecular formula of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane?
The molecular formula of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane is C3H6O3P2.
What is the molecular weight of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane?
The molecular weight of 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane is 151.98 g/mol.
Where can I buy 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane?
You can request a quote for 2,6,7-Trioxa-1,4-diphosphabicyclo(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 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.