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57533-05-8

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Basic Information
CAS No.: 57533-05-8
Name: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-L-leucine dihydrochloride
Molecular Structure:
Molecular Structure of 57533-05-8 (N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-L-leucine dihydrochloride)
Formula: C17H25Cl2N3O3
Molecular Weight: 390.30
Synonyms: L-Leucine-4-antipyrineamidedihydrochloride;WK 30 dihydrochloride;
Boiling Point: 469.6 °C at 760 mmHg
Flash Point: 237.8 °C
PSA: 76.26000
LogP: 4.07260
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  • L-Leucine-4-antipyrineamide dihydrochloride

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    57533-05-8

    L-Leucine-4-antipyrineamide dihydrochloride

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    High quality,stable supply chain.Appearance:white/off-white or light yellow Storage:Store in cool and dry place, keep away from strong light and heat. Package:aluminum bottle,glass bottle,PTFE bottle,cardboard drum Application:This product can be use

    Suzhou Health Chemicals Co., Ltd. is A Fine Chemicals Company, specializing in research, development, manufacture and distribute raw materials for pharmaceutical, healthcare, bioch

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  • 1,3-Propanediol,2-methyl-2-propyl-, 1,3-dicarbamate

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    1,3-Propanediol,2-methyl-2-propyl-, 1,3-dicarbamate

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Specification

The L-Leucine,N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, dihydrochloride(9CI), with the CAS registry number 57533-05-8, is also known as WK 30 dihydrochloride. This chemical's molecular formula is C17H25Cl2N3O3 and molecular weight is 390.30. What's more, its IUPAC name is (2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid dihydrochloride. Its classification code is Drug/Therapeutic Agent.

Physical properties of L-Leucine,N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, dihydrochloride(9CI) are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.09 Å2; (13)Flash Point: 237.8 °C; (14)Enthalpy of Vaporization: 77.12 kJ/mol; (15)Boiling Point: 469.6 °C at 760 mmHg; (16)Vapour Pressure: 1.28E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(O)[C@@H](NC=2C(=O)N(c1ccccc1)N(C=2C)C)CC(C)C
(2)Std. InChI: InChI=1S/C17H23N3O3.2ClH/c1-11(2)10-14(17(22)23)18-15-12(3)19(4)20(16(15)21)13-8-6-5-7-9-13;;/h5-9,11,14,18H,10H2,1-4H3,(H,22,23);2*1H/t14-;;/m0../s1
(3)Std. InChIKey: FMEUDANPRXYWAF-UTLKBRERSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 3010mg/kg (3010mg/kg)   Polish Medical Sciences and History Bulletin. Vol. 17(4), Pg. 323, 1974.