Tris(2-butoxyethyl) phosphate
TL;DR: Tris(2-butoxyethyl) phosphate (CAS 78-51-3) is a chemical compound with molecular formula C18H39O7P and molecular weight 398.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-butoxyethyl) phosphate
Also Known As: Tris(2-butoxyethyl) phosphate, TBEP, Phosflex T-bep, Tributoxyethyl phosphate, Tris(butoxyethyl) phosphate
| Molecular Formula | C18H39O7P |
|---|---|
| Molecular Weight | 398.24 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 398.24335 |
| Heavy Atoms | 26 |
| Complexity | 281.0 |
| Melting Point | -70.0 °C |
| Boiling Point | 392 to 230.0 °C at 4 mmHg |
| Density | 1.02 at 20.0 °C |
| Solubility | Soluble (NTP, 1992) |
| Flash Point | 223.9 °C |
| Vapor Pressure | 0.03 mmHg at 150.0 °C |
| Refractive Index | 1.434 at 25 °C |
Chemical Identifiers
| CAS Number | 78-51-3 |
|---|---|
| SMILES | CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC |
| InChIKey | WTLBZVNBAKMVDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2-butoxyethyl) phosphate (CAS 78-51-3), with molecular formula C18H39O7P and molecular weight 398.24 g/mol. IUPAC: tris(2-butoxyethyl) phosphate.
Chemical Property Profile of Tris(2-butoxyethyl) phosphate
Property Insights of Tris(2-butoxyethyl) phosphate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-butoxyethyl) phosphate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(2-butoxyethyl) phosphate. Following Lipinski's Rule of Five, Tris(2-butoxyethyl) phosphate has 0 hydrogen bond donor(s) and 7 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 Tris(2-butoxyethyl) phosphate?
The CAS number of Tris(2-butoxyethyl) phosphate is 78-51-3.
What is the molecular formula of Tris(2-butoxyethyl) phosphate?
The molecular formula of Tris(2-butoxyethyl) phosphate is C18H39O7P.
What is the molecular weight of Tris(2-butoxyethyl) phosphate?
The molecular weight of Tris(2-butoxyethyl) phosphate is 398.24 g/mol.
Where can I buy Tris(2-butoxyethyl) phosphate?
You can request a quote for Tris(2-butoxyethyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-butoxyethyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-butoxyethyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.