Montelukast Dicarboxylic Acid
TL;DR: Montelukast Dicarboxylic Acid (CAS 213380-27-9) is a chemical compound with molecular formula C35H34ClNO5S and molecular weight 615.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3R)-3-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-hydroxypropanoic acid
Also Known As: Montelukast Dicarboxylic Acid, (Mixture of Diastereomers)", MONTELUKAST METABOLITE M4, 2-((3R)-3-(((1-(Carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-alpha-hydroxy-alpha-methylbenzeneacetic acid, Montelukast Dicarboxylic Acid(Mixture of Diastereomers)
| Molecular Formula | C35H34ClNO5S |
|---|---|
| Molecular Weight | 615.18 g/mol |
| LogP | 8.0127 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 615.18463 |
| Heavy Atoms | 43 |
| Complexity | 1680.1697 |
Chemical Identifiers
| CAS Number | 213380-27-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)(C(=O)O)O |
Product Overview
Montelukast Dicarboxylic Acid (CAS 213380-27-9), with molecular formula C35H34ClNO5S and molecular weight 615.18 g/mol. IUPAC: 2-[2-[(3R)-3-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-hydroxypropanoic acid.
Chemical Property Profile of Montelukast Dicarboxylic Acid
Property Insights of Montelukast Dicarboxylic Acid
The XLogP value of 8.0127 indicates that Montelukast Dicarboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Montelukast Dicarboxylic Acid. Following Lipinski's Rule of Five, Montelukast Dicarboxylic Acid has 3 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 Montelukast Dicarboxylic Acid?
The CAS number of Montelukast Dicarboxylic Acid is 213380-27-9.
What is the molecular formula of Montelukast Dicarboxylic Acid?
The molecular formula of Montelukast Dicarboxylic Acid is C35H34ClNO5S.
What is the molecular weight of Montelukast Dicarboxylic Acid?
The molecular weight of Montelukast Dicarboxylic Acid is 615.18 g/mol.
Where can I buy Montelukast Dicarboxylic Acid?
You can request a quote for Montelukast Dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Montelukast Dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for Montelukast Dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.