Pentafluoroprop-1-en-2-yl benzoate
TL;DR: Pentafluoroprop-1-en-2-yl benzoate (CAS 53841-60-4) is a chemical compound with molecular formula C10H5F5O2 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3,3-pentafluoroprop-1-en-2-yl benzoate
Also Known As: 2-(Pentafluoropropenyl)benzoate, Perfluoroprop-1-en-2-yl benzoate, pentafluoroprop-1-en-2-yl benzoate, 1,1,3,3,3-pentafluoroprop-1-en-2-yl Benzoate, Perfluoro-1-propen-2-yl Benzoate
| Molecular Formula | C10H5F5O2 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 3.5138 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.02097 |
| Heavy Atoms | 17 |
| Complexity | 431.75952 |
Chemical Identifiers
| CAS Number | 53841-60-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(=C(F)F)C(F)(F)F |
Product Overview
Pentafluoroprop-1-en-2-yl benzoate (CAS 53841-60-4), with molecular formula C10H5F5O2 and molecular weight 252.02 g/mol. IUPAC: 1,1,3,3,3-pentafluoroprop-1-en-2-yl benzoate.
Chemical Property Profile of Pentafluoroprop-1-en-2-yl benzoate
Property Insights of Pentafluoroprop-1-en-2-yl benzoate
The XLogP value of 3.5138 indicates that Pentafluoroprop-1-en-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluoroprop-1-en-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoroprop-1-en-2-yl benzoate 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 Pentafluoroprop-1-en-2-yl benzoate?
The CAS number of Pentafluoroprop-1-en-2-yl benzoate is 53841-60-4.
What is the molecular formula of Pentafluoroprop-1-en-2-yl benzoate?
The molecular formula of Pentafluoroprop-1-en-2-yl benzoate is C10H5F5O2.
What is the molecular weight of Pentafluoroprop-1-en-2-yl benzoate?
The molecular weight of Pentafluoroprop-1-en-2-yl benzoate is 252.02 g/mol.
Where can I buy Pentafluoroprop-1-en-2-yl benzoate?
You can request a quote for Pentafluoroprop-1-en-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoroprop-1-en-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoroprop-1-en-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.