Pentaerythritol tetra(perfluorobutyrate)
TL;DR: Pentaerythritol tetra(perfluorobutyrate) (CAS 464-40-4) is a chemical compound with molecular formula C21H8F28O8 and molecular weight 919.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Pentaerythritol tetra(perfluorobutyrate), tetrakis-O-heptafluorobutyryl-pentaerythritol, [3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate, Bis(heptafluorobutanoic acid)2,2-bis[(heptafluorobutanoyl)oxymethyl]propane-1,3-diyl ester, 2,2-Bis{[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]methyl}propane-1,3-diyl bis(heptafluorobutanoate)
| Molecular Formula | C21H8F28O8 |
|---|---|
| Molecular Weight | 919.98 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 20 |
| Exact Mass | 919.97723 |
| Heavy Atoms | 57 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 464-40-4 |
|---|---|
| SMILES | C(C(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | OMEHZXJXFQRYTF-UHFFFAOYSA-N |
Product Overview
Pentaerythritol tetra(perfluorobutyrate) (CAS 464-40-4), with molecular formula C21H8F28O8 and molecular weight 919.98 g/mol. IUPAC: [3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Pentaerythritol tetra(perfluorobutyrate)
Property Insights of Pentaerythritol tetra(perfluorobutyrate)
The XLogP value of 9.7 indicates that Pentaerythritol tetra(perfluorobutyrate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tetra(perfluorobutyrate). Following Lipinski's Rule of Five, Pentaerythritol tetra(perfluorobutyrate) has 0 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol tetra(perfluorobutyrate)?
The CAS number of Pentaerythritol tetra(perfluorobutyrate) is 464-40-4.
What is the molecular formula of Pentaerythritol tetra(perfluorobutyrate)?
The molecular formula of Pentaerythritol tetra(perfluorobutyrate) is C21H8F28O8.
What is the molecular weight of Pentaerythritol tetra(perfluorobutyrate)?
The molecular weight of Pentaerythritol tetra(perfluorobutyrate) is 919.98 g/mol.
Where can I buy Pentaerythritol tetra(perfluorobutyrate)?
You can request a quote for Pentaerythritol tetra(perfluorobutyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetra(perfluorobutyrate)?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetra(perfluorobutyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.