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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Montelukast Montelukast is a leukotriene receptor antagonist used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies.
| ALogP | 8.284 |
|---|---|
| hba_count | 2 |
| Rotatable Bond | 12 |
| Pubchem Sid | 504763324 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763324 |
| Canonical Smiles | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
| IUPAC Name | 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
| InChIKey | UCHDWCPVSPXUMX-TZIWLTJVSA-N |
| INCHI | 1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1 |
| Isomeric SMILES | CC(C)(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)O |
| Molecular Weight | 586.18 |
| Reaxy-Rn | 22698699 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22698699&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Chloroquinolines Phenylpropanes Styrenes Thia fatty acids Hydroxy fatty acids Pyridines and derivatives Aryl chlorides Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organochlorides Aromatic alcohols Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Styrene - Hydroxy fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Thioether - Dialkylthioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| External Descriptors | quinolines - monocarboxylic acid - aliphatic sulfide |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 | |
| Certificate of Analysis | Nov 24, 2025 | M413330 |
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (170.59 mM); Ethanol: 10 mg/mL (17.05 mM); Water: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 100 |
| DMSO(mM) Max Solubility | 170.596062642874 |
| Water(mg / mL) Max Solubility | 1 |
| Water(mM) Max Solubility | 1.70596062642874 |
| Molecular Weight | 586.200 g/mol |
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 585.21 Da |
| Monoisotopic Mass | 585.21 Da |
| Topological Polar Surface Area | 95.700 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 891.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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