Masilukast
TL;DR: Masilukast (CAS 136564-68-6) is a chemical compound with molecular formula C31H32F3N3O5S and molecular weight 615.2015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]indole-5-carboxamide
Also Known As: Masilukast, Masilukast [INN], masilukastum, Zeneca ZD 3523, Zeneca ZD-3523
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C31H32F3N3O5S |
| Molecular Weight | 615.2015 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 615.2015 Da |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
| SMILES | CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)C(=O)NC[C@H](C)CC(F)(F)F)C)OC |
| InChIKey | ULMFXAMQUGLVGA-LJQANCHMSA-N |
Chemical Property Profile of Masilukast
Property Insights of Masilukast
The XLogP value of 6.2 indicates that Masilukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Masilukast. Following Lipinski's Rule of Five, Masilukast has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Masilukast?
The CAS number of Masilukast is 136564-68-6.
What is the molecular formula of Masilukast?
The molecular formula of Masilukast is C31H32F3N3O5S.
What is the molecular weight of Masilukast?
The molecular weight of Masilukast is 615.2015 g/mol.
Where can I buy Masilukast?
You can request a quote for Masilukast directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Masilukast?
Yes, CoreyChem provides custom synthesis services for Masilukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.