≥99% 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.
Rovazolac (ALX-101) is a liver x receptor (LXR) modulator used in the study of immune system disorders and atopic dermatitis.
| ALogP | 4.1 |
|---|
| Canonical Smiles | CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C |
|---|---|
| IUPAC Name | ethyl 2-[5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate |
| InChIKey | ZUMNJDGBYXHASJ-UHFFFAOYSA-N |
| INCHI | 1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C |
| PubChem CID | 89792952 |
| Molecular Weight | 452.45 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Biphenyls and derivatives Phenylpyrazoles Benzenesulfonyl compounds Sulfones Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Biphenyl - Phenylpyrazole - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2406428 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406517 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406521 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406522 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406524 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406527 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406529 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406530 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406532 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| K2406535 | Certificate of Analysis | Aug 13, 2024 | R648127 |
| Solubility | Ethanol : 25 mg/mL (55.25 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 452.400 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 452.102 Da |
| Monoisotopic Mass | 452.102 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 717.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
