Irindalone
TL;DR: Irindalone (CAS 96478-43-2) is a chemical compound with molecular formula C24H29FN4O and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
Also Known As: Irindalone, Irindalona, Irindalonum, Irindalone [INN], Irindalonum [Latin]
| Molecular Formula | C24H29FN4O |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.23254 |
| Heavy Atoms | 30 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 96478-43-2 |
|---|---|
| SMILES | C1CN(C(=O)N1)CCN2CCN(CC2)[C@@H]3C[C@H](C4=CC=CC=C34)C5=CC=C(C=C5)F |
| InChIKey | GHAMYXPEZSUOCU-XZOQPEGZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irindalone (CAS 96478-43-2), with molecular formula C24H29FN4O and molecular weight 408.23 g/mol. IUPAC: 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.
Chemical Property Profile of Irindalone
Property Insights of Irindalone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irindalone. With a topological polar surface area (TPSA) of 38.8 Ų, Irindalone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Irindalone 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 Irindalone?
The CAS number of Irindalone is 96478-43-2.
What is the molecular formula of Irindalone?
The molecular formula of Irindalone is C24H29FN4O.
What is the molecular weight of Irindalone?
The molecular weight of Irindalone is 408.23 g/mol.
Where can I buy Irindalone?
You can request a quote for Irindalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irindalone?
Yes, KEHONG BIO provides custom synthesis services for Irindalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.