≥97% 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.
MIPS521 is a positive allosteric modulator of the A1R that exhibits analgesic efficacy in rats in vivo.
| Pubchem Sid | 528765462 |
|---|---|
| 정식 스마일 | C1=CC(=CC=C1C(=O)C2=C(SC=C2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl |
| IUPAC Name | [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone |
| InChIKey | IVHJBJJHYFIUOA-UHFFFAOYSA-N |
| INCHI | 1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2 |
| 이성체 SMILES | C1=CC(=CC=C1C(=O)C2=C(SC=C2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl |
| 분자량 | 449.8 |
| Reaxy-Rn | 19041292 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19041292&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 | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | 2-amino-3-benzoylthiophenes Trifluoromethylbenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Primary amines Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - Trifluoromethylbenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organonitrogen compound - Primary amine - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Alkyl halide - Organofluoride - Aromatic heteromonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 I2608195 | Certificate of Analysis | Sep 16, 2026 | M419956 |
| H2301788 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301807 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301828 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301830 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301831 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301835 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301836 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301903 | Certificate of Analysis | May 11, 2026 | M419956 |
| H2301803 | Certificate of Analysis | Jul 08, 2023 | M419956 |
| 분자량 | 449.800 g/mol |
|---|---|
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 449.008 Da |
| Monoisotopic Mass | 449.008 Da |
| Topological Polar Surface Area | 71.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 570.000 |
| 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 |
