Ki16425 supplier | CasNO.355025-24-0

Name
Ki16425
EINECS
CAS No. 355025-24-0
Article Data2
CAS DataBase
Density 1.353 g/cm³
Solubility
Melting Point 59.5-60.5 °C
Formula C₂₃H₂₃ClN₂O₅S
Boiling Point 623.7 °C at 760 mmHg
Molecular Weight 474.963
Flash Point 331 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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]-;
PSA 126.96000
LogP 6.39400

Ki16425 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

Product Name

Ki16425

Ki16425 Specification

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