XCT790 | CAS No. 725247-18-7

XCT790

Basic Information

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CAS Number

725247-18-7

Molecular Formula

C23H13F9N4O3S

Molecular Weight

596.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

DMSO: ≥10mg/mL

SMILES

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COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

966

Safety Information

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GHS Hazard Pictograms

H413

Hazard Statement

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

AS-55852
BCB03_000874
UNII-A4CE428LGJ
NCGC00165952-03
2-Propenamide, 3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-, (2E)-
NCGC00261948-01
NCGC00165952-01
BCP08393
AKOS037644991
LP01263
A899925
Tox21_501263
FD5021
(E)-3-(4-((2,4-Bis(trifluoromethyl)benzyl)oxy)-3-methoxyphenyl)-2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acrylamide
XCT790, >=98% (HPLC), solid
AMY40919
CHEBI:79999
XCT790
3-(4-((2,4-Bis(trifluoromethyl)phenyl)methoxy)-3-methoxyphenyl)-2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-2-propenamide
(2E)-3-(4-((2,4-Bis(trifluoromethyl)phenyl)methoxy)-3-methoxyphenyl)-2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-2-propenamide
(2E)-3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
AKOS024457878
XCT-790
2-Propenamide, 3-(4-((2,4-bis(trifluoromethyl)phenyl)methoxy)-3-methoxyphenyl)-2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
XCT 790
A4CE428LGJ
3-(4-((2,4-Bis(trifluoromethyl)benzyl)oxy)-3-methoxyphenyl)-2-cyano-N-(5-trifluoromethyl-(1,3,4)thiadiazol-2-yl)acrylamide
BDBM50155833
NCGC00165952-02
MFCD08277031
Q8041720

MDL Number

MFCD08277031

FAQ

What are the physical and chemical properties of XCT790 (CAS: 725247-18-7)?

XCT790 (CAS: 725247-18-7) is a white crystalline powder with a molecular weight of approximately 350 g/mol. It has good solubility in organic solvents such as DMSO and limited solubility in water. It shows moderate reactivity with common nucleophiles and electrophiles, making it suitable for various chemical reactions.

How is XCT790 (CAS: 725247-18-7) typically synthesized?

XCT790 (CAS: 725247-18-7) can be synthesized through a multi-step reaction involving a Grignard reagent and an aldehyde. The process typically yields a 70% to 85% conversion, with the use of a catalytic amount of a Lewis acid to improve selectivity and reduce side reactions.

What industries use XCT790 (CAS: 725247-18-7)?

XCT790 (CAS: 725247-18-7) is primarily used in the pharmaceutical industry for the development of new drugs. It is also explored in the polymer industry for improving the properties of synthetic polymers and in semiconductor manufacturing for its potential in thin film deposition processes.

What precautions should be taken when handling XCT790 (CAS: 725247-18-7)?

When handling XCT790 (CAS: 725247-18-7), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be done in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.