Pentaerythritol phosphite
TL;DR: Pentaerythritol phosphite (CAS 873-93-8) is a chemical compound with molecular formula C5H9O4P and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
Also Known As: pentaerythritol phosphite, HYDROXYMETHYLBICYCLIC PHOSPHITE, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, J2.041.026D
| Molecular Formula | C5H9O4P |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.02385 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 873-93-8 |
|---|---|
| SMILES | C1C2(COP(O1)OC2)CO |
| InChIKey | YEWBOZCFGXOUQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol phosphite (CAS 873-93-8), with molecular formula C5H9O4P and molecular weight 164.02 g/mol. IUPAC: 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol.
Chemical Property Profile of Pentaerythritol phosphite
Property Insights of Pentaerythritol phosphite
The XLogP value of -0.9 indicates that Pentaerythritol phosphite is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.9 Ų, Pentaerythritol phosphite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentaerythritol phosphite has 1 hydrogen bond donor(s) and 4 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 Pentaerythritol phosphite?
The CAS number of Pentaerythritol phosphite is 873-93-8.
What is the molecular formula of Pentaerythritol phosphite?
The molecular formula of Pentaerythritol phosphite is C5H9O4P.
What is the molecular weight of Pentaerythritol phosphite?
The molecular weight of Pentaerythritol phosphite is 164.02 g/mol.
Where can I buy Pentaerythritol phosphite?
You can request a quote for Pentaerythritol phosphite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol phosphite?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol phosphite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.