Bis(2-ethylhexyl) 2-ethylhexylphosphonate
TL;DR: Bis(2-ethylhexyl) 2-ethylhexylphosphonate (CAS 126-63-6) is a chemical compound with molecular formula C24H51O3P and molecular weight 418.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-ethylhexoxy(2-ethylhexyl)phosphoryl]oxymethyl]heptane
Also Known As: Bis(2-ethylhexyl)-2-ethylhexylphosphonate, Bis(2-ethylhexyl) 2-ethylhexylphosphonate, Sodium phenosulfonate dihydrate, Sodium phenolsulfonate dihydrate, bis(2-ethylhexyl) (2-ethylhexyl)phosphonate
| Molecular Formula | C24H51O3P |
|---|---|
| Molecular Weight | 418.36 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 418.35757 |
| Heavy Atoms | 28 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 126-63-6 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(CC(CC)CCCC)OCC(CC)CCCC |
| InChIKey | GOCVCBDBQYEFQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-ethylhexyl) 2-ethylhexylphosphonate (CAS 126-63-6), with molecular formula C24H51O3P and molecular weight 418.36 g/mol. IUPAC: 3-[[2-ethylhexoxy(2-ethylhexyl)phosphoryl]oxymethyl]heptane.
Chemical Property Profile of Bis(2-ethylhexyl) 2-ethylhexylphosphonate
Property Insights of Bis(2-ethylhexyl) 2-ethylhexylphosphonate
The XLogP value of 8.9 indicates that Bis(2-ethylhexyl) 2-ethylhexylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(2-ethylhexyl) 2-ethylhexylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-ethylhexyl) 2-ethylhexylphosphonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-ethylhexyl) 2-ethylhexylphosphonate?
The CAS number of Bis(2-ethylhexyl) 2-ethylhexylphosphonate is 126-63-6.
What is the molecular formula of Bis(2-ethylhexyl) 2-ethylhexylphosphonate?
The molecular formula of Bis(2-ethylhexyl) 2-ethylhexylphosphonate is C24H51O3P.
What is the molecular weight of Bis(2-ethylhexyl) 2-ethylhexylphosphonate?
The molecular weight of Bis(2-ethylhexyl) 2-ethylhexylphosphonate is 418.36 g/mol.
Where can I buy Bis(2-ethylhexyl) 2-ethylhexylphosphonate?
You can request a quote for Bis(2-ethylhexyl) 2-ethylhexylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-ethylhexyl) 2-ethylhexylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-ethylhexyl) 2-ethylhexylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.