montelukast
TL;DR: montelukast (CAS 1093746-29-2) is a chemical compound with molecular formula C35H36ClNO3S and molecular weight 585.21045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Also Known As: montelukast, rac-Montelukast, Apxi toxin, Montelukast-d6, Montelukast, rac-
Technical Specifications
| Molecular Formula | C35H36ClNO3S |
| Molecular Weight | 585.21045 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.21045 Da |
| Heavy Atoms | 41 |
| Complexity | 891.0 |
| SMILES | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
| InChIKey | UCHDWCPVSPXUMX-XNTDXEJSSA-N |
Chemical Property Profile of montelukast
Property Insights of montelukast
The XLogP value of 7.7 indicates that montelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for montelukast. Following Lipinski's Rule of Five, montelukast has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of montelukast?
The CAS number of montelukast is 1093746-29-2.
What is the molecular formula of montelukast?
The molecular formula of montelukast is C35H36ClNO3S.
What is the molecular weight of montelukast?
The molecular weight of montelukast is 585.21045 g/mol.
Where can I buy montelukast?
You can request a quote for montelukast directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for montelukast?
Yes, CoreyChem provides custom synthesis services for montelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.