≥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 | COC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C(F)(F)F)N)OC |
|---|---|
| IUPAC Name | 6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide |
| InChIKey | JNSMHVKGXNYEHF-UHFFFAOYSA-N |
| INCHI | 1S/C21H20F3N3O3S/c1-29-13-7-6-10(8-14(13)30-2)9-26-19(28)18-17(25)15-16(21(22,23)24)11-4-3-5-12(11)27-20(15)31-18/h6-8H,3-5,9,25H2,1-2H3,(H,26,28) |
| Isómeros SMILES | COC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C(F)(F)F)N)OC |
| PubChem CID | 1005613 |
| Peso molecular | 451.47 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Thienopyridines Thiophene carboxamides 2-heteroaryl carboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Pyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dimethoxybenzene - O-dimethoxybenzene - Thienopyridine - 2-heteroaryl carboxamide - Phenoxy compound - Thiophene carboxamide - Anisole - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aminothiophene - Pyridine - Vinylogous amide - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Alkyl halide - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
| Peso molecular | 451.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 451.118 Da |
| Monoisotopic Mass | 451.118 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 655.000 |
| 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-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide - ≥90% , CAS No.664999-37-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)