Pentafluorobenzyl-4-aminobenzoate
TL;DR: Pentafluorobenzyl-4-aminobenzoate (CAS 132766-40-6) is a chemical compound with molecular formula C14H7F5NO2- and molecular weight 316.0397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-4-(difluoroamino)-3,5,6-trifluorobenzoate
Also Known As: PFBAB, Pentafluorobenzyl-4-aminobenzoate, Pentafluorobenzyl-4-aminobenzoic acid, 2-benzyl-4-(difluoroamino)-3,5,6-trifluorobenzoate, 4-(Difluoroamino)-2,3,5-Trifluoro-6-(Phenylmethyl)Benzoate
Technical Specifications
| Molecular Formula | C14H7F5NO2- |
| Molecular Weight | 316.0397 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0397 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | C1=CC=C(C=C1)CC2=C(C(=C(C(=C2F)N(F)F)F)F)C(=O)[O-] |
| InChIKey | OGHDXQVJJLANML-UHFFFAOYSA-M |
Chemical Property Profile of Pentafluorobenzyl-4-aminobenzoate
Property Insights of Pentafluorobenzyl-4-aminobenzoate
The XLogP value of 4.7 indicates that Pentafluorobenzyl-4-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pentafluorobenzyl-4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorobenzyl-4-aminobenzoate 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 Pentafluorobenzyl-4-aminobenzoate?
The CAS number of Pentafluorobenzyl-4-aminobenzoate is 132766-40-6.
What is the molecular formula of Pentafluorobenzyl-4-aminobenzoate?
The molecular formula of Pentafluorobenzyl-4-aminobenzoate is C14H7F5NO2-.
What is the molecular weight of Pentafluorobenzyl-4-aminobenzoate?
The molecular weight of Pentafluorobenzyl-4-aminobenzoate is 316.0397 g/mol.
Where can I buy Pentafluorobenzyl-4-aminobenzoate?
You can request a quote for Pentafluorobenzyl-4-aminobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentafluorobenzyl-4-aminobenzoate?
Yes, CoreyChem provides custom synthesis services for Pentafluorobenzyl-4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.