3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate
TL;DR: 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate (CAS 55418-56-9) is a chemical compound with molecular formula C22H18FNO3 and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(2-fluorophenyl)phenyl]-2-oxobutyl] pyridine-4-carboxylate
Also Known As: 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate, 4-(1,3-Benzodioxol-5-yl)butan-2-one, 1-Isonicotinoyloxy-3-(2'-fluoro-4''-biphenylyl)butanone-(2), 4-Pyridinecarboxylic acid, 3-(2'-fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl ester, [3-[4-(2-fluorophenyl)phenyl]-2-oxobutyl] pyridine-4-carboxylate
| Molecular Formula | C22H18FNO3 |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 4.4173 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.12708 |
| Heavy Atoms | 27 |
| Complexity | 939.28644 |
Chemical Identifiers
| CAS Number | 55418-56-9 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C2=CC=CC=C2F)C(=O)COC(=O)C3=CC=NC=C3 |
Product Overview
3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate (CAS 55418-56-9), with molecular formula C22H18FNO3 and molecular weight 363.13 g/mol. IUPAC: [3-[4-(2-fluorophenyl)phenyl]-2-oxobutyl] pyridine-4-carboxylate.
Chemical Property Profile of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate
Property Insights of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate
The XLogP value of 4.4173 indicates that 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate has 0 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 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate?
The CAS number of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate is 55418-56-9.
What is the molecular formula of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate?
The molecular formula of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate is C22H18FNO3.
What is the molecular weight of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate?
The molecular weight of 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate is 363.13 g/mol.
Where can I buy 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate?
You can request a quote for 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.