o-Butyl ethyl(heptafluoropropyl)phosphinate
TL;DR: o-Butyl ethyl(heptafluoropropyl)phosphinate (CAS 77529-58-9) is a chemical compound with molecular formula C9H14F7O2P and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane
Also Known As: o-Butyl ethyl(heptafluoropropyl)phosphinate, butyl ethyl(heptafluoropropyl)phosphinate, 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane
| Molecular Formula | C9H14F7O2P |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 4.8915 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.06195 |
| Heavy Atoms | 19 |
| Complexity | 339.95004 |
Chemical Identifiers
| CAS Number | 77529-58-9 |
|---|---|
| SMILES | CCCCOP(=O)(CC)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
o-Butyl ethyl(heptafluoropropyl)phosphinate (CAS 77529-58-9), with molecular formula C9H14F7O2P and molecular weight 318.06 g/mol. IUPAC: 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane.
Chemical Property Profile of o-Butyl ethyl(heptafluoropropyl)phosphinate
Property Insights of o-Butyl ethyl(heptafluoropropyl)phosphinate
The XLogP value of 4.8915 indicates that o-Butyl ethyl(heptafluoropropyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, o-Butyl ethyl(heptafluoropropyl)phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Butyl ethyl(heptafluoropropyl)phosphinate has 0 hydrogen bond donor(s) and 2 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 o-Butyl ethyl(heptafluoropropyl)phosphinate?
The CAS number of o-Butyl ethyl(heptafluoropropyl)phosphinate is 77529-58-9.
What is the molecular formula of o-Butyl ethyl(heptafluoropropyl)phosphinate?
The molecular formula of o-Butyl ethyl(heptafluoropropyl)phosphinate is C9H14F7O2P.
What is the molecular weight of o-Butyl ethyl(heptafluoropropyl)phosphinate?
The molecular weight of o-Butyl ethyl(heptafluoropropyl)phosphinate is 318.06 g/mol.
Where can I buy o-Butyl ethyl(heptafluoropropyl)phosphinate?
You can request a quote for o-Butyl ethyl(heptafluoropropyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Butyl ethyl(heptafluoropropyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for o-Butyl ethyl(heptafluoropropyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.