(S)-montelukast
TL;DR: (S)-montelukast (CAS 220927-27-5) is a chemical compound with molecular formula C35H36ClNO3S and molecular weight 585.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[[(1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Also Known As: (S)-montelukast
| Molecular Formula | C35H36ClNO3S |
|---|---|
| Molecular Weight | 585.21 g/mol |
| LogP | 8.948 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.21045 |
| Heavy Atoms | 41 |
| Complexity | 1571.4901 |
Chemical Identifiers
| CAS Number | 220927-27-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
Product Overview
(S)-montelukast (CAS 220927-27-5), with molecular formula C35H36ClNO3S and molecular weight 585.21 g/mol. IUPAC: 2-[1-[[(1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid.
Chemical Property Profile of (S)-montelukast
Property Insights of (S)-montelukast
The XLogP value of 8.948 indicates that (S)-montelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-montelukast. Following Lipinski's Rule of Five, (S)-montelukast has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-montelukast?
The CAS number of (S)-montelukast is 220927-27-5.
What is the molecular formula of (S)-montelukast?
The molecular formula of (S)-montelukast is C35H36ClNO3S.
What is the molecular weight of (S)-montelukast?
The molecular weight of (S)-montelukast is 585.21 g/mol.
Where can I buy (S)-montelukast?
You can request a quote for (S)-montelukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-montelukast?
Yes, KEHONG BIO provides custom synthesis services for (S)-montelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.