Pentafluorophenyl 4-formylbenzoate
TL;DR: Pentafluorophenyl 4-formylbenzoate (CAS 160681-98-1) is a chemical compound with molecular formula C14H5F5O3 and molecular weight 316.0159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,4,5,6-pentafluorophenyl) 4-formylbenzoate
Also Known As: Pentafluorophenyl 4-formylbenzoate, Benzoic acid, 4-formyl-, pentafluorophenyl ester, (2,3,4,5,6-pentafluorophenyl) 4-formylbenzoate
Technical Specifications
| Molecular Formula | C14H5F5O3 |
| Molecular Weight | 316.0159 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0159 Da |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | UODUAOPYYXJDAI-UHFFFAOYSA-N |
Chemical Property Profile of Pentafluorophenyl 4-formylbenzoate
Property Insights of Pentafluorophenyl 4-formylbenzoate
The XLogP value of 3.3 indicates that Pentafluorophenyl 4-formylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pentafluorophenyl 4-formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl 4-formylbenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentafluorophenyl 4-formylbenzoate?
The CAS number of Pentafluorophenyl 4-formylbenzoate is 160681-98-1.
What is the molecular formula of Pentafluorophenyl 4-formylbenzoate?
The molecular formula of Pentafluorophenyl 4-formylbenzoate is C14H5F5O3.
What is the molecular weight of Pentafluorophenyl 4-formylbenzoate?
The molecular weight of Pentafluorophenyl 4-formylbenzoate is 316.0159 g/mol.
Where can I buy Pentafluorophenyl 4-formylbenzoate?
You can request a quote for Pentafluorophenyl 4-formylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentafluorophenyl 4-formylbenzoate?
Yes, CoreyChem provides custom synthesis services for Pentafluorophenyl 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.