Tris(1H,1H-heptafluorobutyl)phosphate
TL;DR: Tris(1H,1H-heptafluorobutyl)phosphate (CAS 563-09-7) is a chemical compound with molecular formula C12H6F21O4P and molecular weight 643.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate
Also Known As: Tris(1H,1H-heptafluorobutyl)phosphate, tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate, 5694AE, Tris(1H,1H-heptafluorobutyl) phosphate, 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1,1',1''-phosphate
| Molecular Formula | C12H6F21O4P |
|---|---|
| Molecular Weight | 643.97 g/mol |
| LogP | 7.643 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 643.96686 |
| Heavy Atoms | 38 |
| Complexity | 746.3709 |
Chemical Identifiers
| CAS Number | 563-09-7 |
|---|---|
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Tris(1H,1H-heptafluorobutyl)phosphate (CAS 563-09-7), with molecular formula C12H6F21O4P and molecular weight 643.97 g/mol. IUPAC: tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate.
Chemical Property Profile of Tris(1H,1H-heptafluorobutyl)phosphate
Property Insights of Tris(1H,1H-heptafluorobutyl)phosphate
The XLogP value of 7.643 indicates that Tris(1H,1H-heptafluorobutyl)phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Tris(1H,1H-heptafluorobutyl)phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(1H,1H-heptafluorobutyl)phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(1H,1H-heptafluorobutyl)phosphate?
The CAS number of Tris(1H,1H-heptafluorobutyl)phosphate is 563-09-7.
What is the molecular formula of Tris(1H,1H-heptafluorobutyl)phosphate?
The molecular formula of Tris(1H,1H-heptafluorobutyl)phosphate is C12H6F21O4P.
What is the molecular weight of Tris(1H,1H-heptafluorobutyl)phosphate?
The molecular weight of Tris(1H,1H-heptafluorobutyl)phosphate is 643.97 g/mol.
Where can I buy Tris(1H,1H-heptafluorobutyl)phosphate?
You can request a quote for Tris(1H,1H-heptafluorobutyl)phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(1H,1H-heptafluorobutyl)phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(1H,1H-heptafluorobutyl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.