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2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione (CAS 69076-73-9) is a chemical compound with molecular formula C15H11FN2O2 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoroanilino)methyl]isoindole-1,3-dione
Also Known As: 2-(((4-Fluorophenyl)amino)methyl)isoindoline-1,3-dione, 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione, 2-[(4-fluoroanilino)methyl]isoindole-1,3-dione, BAS 00090438, 2-([(4-Fluorophenyl)amino]methyl)-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C15H11FN2O2 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.08044 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 69076-73-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)F |
| InChIKey | ABKVYGLHDZFOJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione (CAS 69076-73-9), with molecular formula C15H11FN2O2 and molecular weight 270.08 g/mol. IUPAC: 2-[(4-fluoroanilino)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.4 indicates that 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione 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-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione is 69076-73-9.
What is the molecular formula of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione is C15H11FN2O2.
What is the molecular weight of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione is 270.08 g/mol.
Where can I buy 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-fluorophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.