≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1CC2=C(C1)N=C3C(=C2C(F)(F)F)C(=C(S3)C(=O)NCC4=CC=C(C=C4)Cl)N |
|---|---|
| IUPAC Name | 6-amino-N-[(4-chlorophenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide |
| InChIKey | BMKAUMDPAJJEGO-UHFFFAOYSA-N |
| INCHI | 1S/C19H15ClF3N3OS/c20-10-6-4-9(5-7-10)8-25-17(27)16-15(24)13-14(19(21,22)23)11-2-1-3-12(11)26-18(13)28-16/h4-7H,1-3,8,24H2,(H,25,27) |
| Isómeros SMILES | C1CC2=C(C1)N=C3C(=C2C(F)(F)F)C(=C(S3)C(=O)NCC4=CC=C(C=C4)Cl)N |
| PubChem CID | 1005651 |
| Peso molecular | 425.86 |
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 |
| Clase | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | Thiophene carboxamides 2-heteroaryl carboxamides Chlorobenzenes Pyridines and derivatives Aminothiophenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aminothiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Primary amine - Alkyl fluoride - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 425.900 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.058 Da |
| Monoisotopic Mass | 425.058 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 587.000 |
| 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 |
![3-amino-N-(4-chlorobenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide - ≥90% , CAS No.626227-31-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)