Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
TL;DR: Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate (CAS 78755-31-4) is a chemical compound with molecular formula C12H5F11O3 and molecular weight 406.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Also Known As: Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate, phenyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate, RefChem:369614
| Molecular Formula | C12H5F11O3 |
|---|---|
| Molecular Weight | 406.01 g/mol |
| LogP | 4.6271 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.00632 |
| Heavy Atoms | 26 |
| Complexity | 638.0619 |
Chemical Identifiers
| CAS Number | 78755-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F |
Product Overview
Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate (CAS 78755-31-4), with molecular formula C12H5F11O3 and molecular weight 406.01 g/mol. IUPAC: phenyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.
Chemical Property Profile of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
Property Insights of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
The XLogP value of 4.6271 indicates that Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate has 0 hydrogen bond donor(s) and 3 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 Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate?
The CAS number of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate is 78755-31-4.
What is the molecular formula of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate?
The molecular formula of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate is C12H5F11O3.
What is the molecular weight of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate?
The molecular weight of Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate is 406.01 g/mol.
Where can I buy Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate?
You can request a quote for Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.