3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid
TL;DR: 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (CAS 728887-93-2) is a chemical compound with molecular formula C16H10F3NO3 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylic acid
Also Known As: ZERO/005359, 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid, 3-oxo-2-[3-(trifluoromethyl)phenyl]isoindoline-4-carboxylic acid, 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-2-[3-(trifluoromethyl)phenyl]-, 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylic acid
| Molecular Formula | C16H10F3NO3 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.564 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.06128 |
| Heavy Atoms | 23 |
| Complexity | 814.458 |
Chemical Identifiers
| CAS Number | 728887-93-2 |
|---|---|
| SMILES | C1C2=C(C(=CC=C2)C(=O)O)C(=O)N1C3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (CAS 728887-93-2), with molecular formula C16H10F3NO3 and molecular weight 321.06 g/mol. IUPAC: 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid
Property Insights of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid
The XLogP value of 3.564 indicates that 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic 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, 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic 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 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid?
The CAS number of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid is 728887-93-2.
What is the molecular formula of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid?
The molecular formula of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid is C16H10F3NO3.
What is the molecular weight of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid?
The molecular weight of 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid is 321.06 g/mol.
Where can I buy 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid?
You can request a quote for 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.