Way 120491
TL;DR: Way 120491 (CAS 124916-54-7) is a chemical compound with molecular formula C20H18F3NO4 and molecular weight 393.1188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one
Also Known As: Celikalim, Way 120491, Way-120,491, 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one, 2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran-4-yl)-2,3-dihydro-1H-isoindol-1-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H18F3NO4 |
| Molecular Weight | 393.1188 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1188 Da |
| Heavy Atoms | 28 |
| Complexity | 611.0 |
| SMILES | CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)OC(F)(F)F)N3CC4=CC=CC=C4C3=O)O)C |
| InChIKey | ZORATYFUTXFLJS-SJORKVTESA-N |
Chemical Property Profile of Way 120491
Property Insights of Way 120491
The XLogP value of 3.4 indicates that Way 120491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Way 120491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Way 120491 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Way 120491?
The CAS number of Way 120491 is 124916-54-7.
What is the molecular formula of Way 120491?
The molecular formula of Way 120491 is C20H18F3NO4.
What is the molecular weight of Way 120491?
The molecular weight of Way 120491 is 393.1188 g/mol.
Where can I buy Way 120491?
You can request a quote for Way 120491 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Way 120491?
Yes, CoreyChem provides custom synthesis services for Way 120491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.