VERLUKAST
TL;DR: VERLUKAST (CAS 778545-32-7) is a chemical compound with molecular formula C26H27ClN2O3S2 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Also Known As: VERLUKAST, 1-Naphthylisocyanate, MK-571 sodium salt, UNII:76LB1G2X6V, PDSP1_001581
| Molecular Formula | C26H27ClN2O3S2 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 6.4766 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.1152 |
| Heavy Atoms | 34 |
| Complexity | 1183.6744 |
Chemical Identifiers
| CAS Number | 778545-32-7 |
|---|---|
| SMILES | CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O |
Product Overview
VERLUKAST (CAS 778545-32-7), with molecular formula C26H27ClN2O3S2 and molecular weight 514.12 g/mol. IUPAC: 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid.
Chemical Property Profile of VERLUKAST
Property Insights of VERLUKAST
The XLogP value of 6.4766 indicates that VERLUKAST is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VERLUKAST?
The CAS number of VERLUKAST is 778545-32-7.
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 514.12 g/mol.
Where can I buy VERLUKAST?
You can request a quote for VERLUKAST directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VERLUKAST?
Yes, KEHONG BIO provides custom synthesis services for VERLUKAST and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.