Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% 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.
Cerivastatin Lactone is a synthesized statin used in studies of cholesterol and cardiovascular disease. It has been shown to increase the risk of developing rhabdomyolysis.
| Canonical Smiles | CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O |
|---|---|
| IUPAC Name | (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid |
| InChIKey | SEERZIQQUAZTOL-ANMDKAQQSA-N |
| INCHI | 1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1 |
| Isomeric SMILES | CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O |
| Molecular Weight | 459.55 |
| Reaxy-Rn | 38985309 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38985309&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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Unsaturated fatty acids Aryl fluorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyridine - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Beta-hydroxy acid - Fluorobenzene - Halogenated fatty acid - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Fatty acid - Unsaturated fatty acid - Fatty acyl - Monocyclic benzene moiety - Hydroxy acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | statin (synthetic) - pyridines - dihydroxy monocarboxylic acid |
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| Solubility | Soluble in water. |
|---|---|
| Refractive Index | n20D1.59 (Predicted) |
| Boil Point(°C) | 581.11° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 246.97° C (Predicted) |
| Molecular Weight | 459.500 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 459.242 Da |
| Monoisotopic Mass | 459.242 Da |
| Topological Polar Surface Area | 99.900 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 620.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →