Pentafluorophenyl pyridine-4-carboxylate
TL;DR: Pentafluorophenyl pyridine-4-carboxylate (CAS 360574-34-1) is a chemical compound with molecular formula C12H4F5NO2 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) pyridine-4-carboxylate
Also Known As: Perfluorophenyl isonicotinate, Pentafluorophenyl pyridine-4-carboxylate, Pentafluorophenyl isonicotinate, PentafluorophenyI isonicotinate, pyridine-4-carboxylic acid pentafluorophenyl ester
| Molecular Formula | C12H4F5NO2 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 2.9963 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0162 |
| Heavy Atoms | 20 |
| Complexity | 646.28815 |
Chemical Identifiers
| CAS Number | 360574-34-1 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
Pentafluorophenyl pyridine-4-carboxylate (CAS 360574-34-1), with molecular formula C12H4F5NO2 and molecular weight 289.02 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) pyridine-4-carboxylate.
Chemical Property Profile of Pentafluorophenyl pyridine-4-carboxylate
Property Insights of Pentafluorophenyl pyridine-4-carboxylate
The XLogP value of 2.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluorophenyl pyridine-4-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Pentafluorophenyl pyridine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl pyridine-4-carboxylate 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 Pentafluorophenyl pyridine-4-carboxylate?
The CAS number of Pentafluorophenyl pyridine-4-carboxylate is 360574-34-1.
What is the molecular formula of Pentafluorophenyl pyridine-4-carboxylate?
The molecular formula of Pentafluorophenyl pyridine-4-carboxylate is C12H4F5NO2.
What is the molecular weight of Pentafluorophenyl pyridine-4-carboxylate?
The molecular weight of Pentafluorophenyl pyridine-4-carboxylate is 289.02 g/mol.
Where can I buy Pentafluorophenyl pyridine-4-carboxylate?
You can request a quote for Pentafluorophenyl pyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenyl pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenyl pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.