2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide
TL;DR: 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide (CAS 10242-01-0) is a chemical compound with molecular formula C5H9O5P and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
Also Known As: PEPA, Pentaerythritol phosphate alcohol, 4-(Hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide, Pentaerythritol phosphate, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide
| Molecular Formula | C5H9O5P |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.01875 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 10242-01-0 |
|---|---|
| SMILES | C1C2(COP(=O)(O1)OC2)CO |
| InChIKey | YASRHLDAFCMIPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide (CAS 10242-01-0), with molecular formula C5H9O5P and molecular weight 180.02 g/mol. IUPAC: (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.
Chemical Property Profile of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide
Property Insights of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide
The XLogP value of -1.5 indicates that 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide. Following Lipinski's Rule of Five, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide has 1 hydrogen bond donor(s) and 5 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-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide?
The CAS number of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide is 10242-01-0.
What is the molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide?
The molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide is C5H9O5P.
What is the molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide?
The molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide is 180.02 g/mol.
Where can I buy 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide?
You can request a quote for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide 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-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.