Verlukast
TL;DR: Verlukast (CAS 153698-86-3) is a chemical compound with molecular formula C26H27ClN2O3S2 and molecular weight 514.1152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(R)-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Also Known As: VERLUKAST, Verlukastum, Verlukast-d6, MK571 cpd, Verlukast [USAN:INN]
Technical Specifications
| Molecular Formula | C26H27ClN2O3S2 |
| Molecular Weight | 514.1152 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.1152 Da |
| Heavy Atoms | 34 |
| Complexity | 693.0 |
| SMILES | CN(C)C(=O)CCS[C@@H](C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O |
| InChIKey | AXUZQJFHDNNPFG-LHAVAQOQSA-N |
Chemical Property Profile of Verlukast
Property Insights of Verlukast
The XLogP value of 5.3 indicates that Verlukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Verlukast. Following Lipinski's Rule of Five, Verlukast has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Verlukast?
The CAS number of Verlukast is 153698-86-3.
What is the molecular formula of Verlukast?
The molecular formula of Verlukast is C26H27ClN2O3S2.
What is the molecular weight of Verlukast?
The molecular weight of Verlukast is 514.1152 g/mol.
Where can I buy Verlukast?
You can request a quote for Verlukast directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Verlukast?
Yes, CoreyChem provides custom synthesis services for Verlukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.