1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid
TL;DR: 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid (CAS 680599-36-4) is a chemical compound with molecular formula C18H14FNO3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
Also Known As: ChemDiv3_005240, IDI1_023150, 1-allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid, 1-allyl-2-(4-fluorophenyl)-3-oxoisoindoline-4-carboxylic acid, 2-(4-fluorophenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
| Molecular Formula | C18H14FNO3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 3.8015 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.09576 |
| Heavy Atoms | 23 |
| Complexity | 798.41406 |
Chemical Identifiers
| CAS Number | 680599-36-4 |
|---|---|
| SMILES | C=CCC1C2=C(C(=CC=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)F |
Product Overview
1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid (CAS 680599-36-4), with molecular formula C18H14FNO3 and molecular weight 311.10 g/mol. IUPAC: 2-(4-fluorophenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid
Property Insights of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid
The XLogP value of 3.8015 indicates that 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid?
The CAS number of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid is 680599-36-4.
What is the molecular formula of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid?
The molecular formula of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid is C18H14FNO3.
What is the molecular weight of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid?
The molecular weight of 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid is 311.10 g/mol.
Where can I buy 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid?
You can request a quote for 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2-(4-fluorophenyl)-3-oxo-4-isoindolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.