≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=C(C=C3)F)C(=O)C4CC4 |
|---|---|
| IUPAC Name | [5-[2-cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate |
| InChIKey | XKXRRKWLOOSELF-UHFFFAOYSA-N |
| INCHI | 1S/C20H20FNO3S/c1-12(23)25-18-10-15-11-22(9-8-17(15)26-18)19(20(24)14-2-3-14)13-4-6-16(21)7-5-13/h4-7,10,14,19H,2-3,8-9,11H2,1H3 |
| Isomeric SMILES | CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=C(C=C3)F)C(=O)C4CC4 |
| PubChem CID | 71316880 |
| Molecular Weight | 373.4 |
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 | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Fluorobenzenes Aralkylamines Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Alpha-amino ketones Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - 2,3,5-trisubstituted thiophene - Aralkylamine - Halobenzene - Fluorobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiophene - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 373.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 373.115 Da |
| Monoisotopic Mass | 373.115 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-(2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate - ≥95% , CAS No.1391194-50-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)