CAS No.355025-24-0,Ki16425 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	355025-24-0
Name:	Ki16425
Article Data:	2

Formula:	C₂₃H₂₃ClN₂O₅S
Molecular Weight:	474.963
Synonyms:	Ki16425;3-({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methylisoxazol-5-yl]benzyl}sulfanyl)propanoic acid;propanoic acid, 3-[[[4-[4-[[[1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]-;
Density:	1.353 g/cm³
Melting Point:	59.5-60.5 °C
Boiling Point:	623.7 °C at 760 mmHg
Flash Point:	331 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	126.96000
LogP:	6.39400

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Specification

The Ki16425, with the CAS registry number 355025-24-0, has the systematic name of 3-({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methylisoxazol-5-yl]benzyl}sulfanyl)propanoic acid. It is a kind of white solid, and the molecular formula of the chemical is C₂₃H₂₃ClN₂O₅S.

The characteristics of Ki16425 are as followings: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 863.56; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 2003.21; (8)ACD/KOC (pH 7.4): 32.48; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 107.17 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 124.47 cm³; (15)Molar Volume: 350.7 cm³; (16)Polarizability: 49.34×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.353 g/cm³; (19)Flash Point: 331 °C; (20)Enthalpy of Vaporization: 97.1 kJ/mol; (21)Boiling Point: 623.7 °C at 760 mmHg; (22)Vapour Pressure: 2.03E-16 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(c1ccccc1Cl)C)Nc2c(onc2C)c3ccc(cc3)CSCCC(=O)O
(2)InChI: InChI=1/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
(3)InChIKey: LLIFMNUXGDHTRO-UHFFFAOYAY