(2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate
TL;DR: (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate (CAS 71847-97-7) is a chemical compound with molecular formula C12H8FNO3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate
Also Known As: (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate, 2-Oxo-1,2-dihydropyridin-3-yl 4-fluorobenzoate
| Molecular Formula | C12H8FNO3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04883 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 71847-97-7 |
|---|---|
| SMILES | C1=CNC(=O)C(=C1)OC(=O)C2=CC=C(C=C2)F |
| InChIKey | WMTPUFFKQYBPHN-UHFFFAOYSA-N |
Product Overview
(2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate (CAS 71847-97-7), with molecular formula C12H8FNO3 and molecular weight 233.05 g/mol. IUPAC: (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate.
Chemical Property Profile of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate
Property Insights of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate has 1 hydrogen bond donor(s) and 4 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 (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate?
The CAS number of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate is 71847-97-7.
What is the molecular formula of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate?
The molecular formula of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate is C12H8FNO3.
What is the molecular weight of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate?
The molecular weight of (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate is 233.05 g/mol.
Where can I buy (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate?
You can request a quote for (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-oxo-1H-pyridin-3-yl) 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.