2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate
TL;DR: 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate (CAS 496032-46-3) is a chemical compound with molecular formula C16H12F7O3P and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,3,3,4,4,4-heptafluoro-1-phenylbutoxy)-phenylphosphinic acid
Also Known As: 2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl hydrogen phenylphosphonate, (2,2,3,3,4,4,4-heptafluoro-1-phenylbutoxy)-phenylphosphinic acid, (2,2,3,3,4,4,4-heptafluoro-1-phenyl-butoxy)-phenyl-phosphinic Acid, RefChem:242586
| Molecular Formula | C16H12F7O3P |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 5.0881 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.04123 |
| Heavy Atoms | 27 |
| Complexity | 809.76855 |
Chemical Identifiers
| CAS Number | 496032-46-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(C2=CC=CC=C2)O |
Product Overview
2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate (CAS 496032-46-3), with molecular formula C16H12F7O3P and molecular weight 416.04 g/mol. IUPAC: (2,2,3,3,4,4,4-heptafluoro-1-phenylbutoxy)-phenylphosphinic acid.
Chemical Property Profile of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate
Property Insights of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate
The XLogP value of 5.0881 indicates that 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate?
The CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate is 496032-46-3.
What is the molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate?
The molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate is C16H12F7O3P.
What is the molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate?
The molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate is 416.04 g/mol.
Where can I buy 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate?
You can request a quote for 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl hydrogen phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.