N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) supplier

Name
L-METHIONINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE
EINECS
CAS No. 94367-35-8
Density
Solubility
Melting Point
Formula C₁₇H₁₉F₃N₂O₅S
Boiling Point 560.6 °C at 760 mmHg
Molecular Weight 420.4
Flash Point 292.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate;Acetic acid, 2,2,2-trifluoro-, compd. with (2S)-2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-(methylthio)butanamide (1:1);(2S)-2-Amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylthiobutanamide, 2,2,2-trifluoroacetic acid;L-Methionine 7-amido-4-methylcoumarin trifluoroacetate salt;
PSA 147.93000
LogP 3.52690

N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) Specification

The N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1), with the CAS registry number 94367-35-8, is also known as L-Methionine 7-amido-4-methylcoumarin trifluoroacetate salt. It belongs to the product categories of AminopeptidaseEnzyme Substrates; AlphabeticalEnzyme Substrates; Calpain; Fluorescent Enzyme Substrates; Fluorescent Probes, Labels, Particles and Stains; Substrates by Enzyme. This chemical's molecular formula is C₁₇H₁₉F₃N₂O₅S and molecular weight is 420.4. What's more, its systematic name is N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate.

Physical properties of N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.3; (7)ACD/KOC (pH 5.5): 10.59; (8)ACD/KOC (pH 7.4): 124.54; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.15 Å²; (13)Flash Point: 292.8 °C; (14)Enthalpy of Vaporization: 84.32 kJ/mol; (15)Boiling Point: 560.6 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)O.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)CCSC
(2)InChI: InChI=1S/C15H18N2O3S.C2HF3O2/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2;3-2(4,5)1(6)7/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19);(H,6,7)/t12-;/m0./s1
(3)InChIKey: VSAUWUJWXBUSEU-YDALLXLXSA-N

Product Name

L-METHIONINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE

N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) Specification

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