Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Ki16425

Related Products

Hot Products

Name

Ki16425

EINECS N/A
CAS No. 355025-24-0 Density 1.353 g/cm3
PSA 126.96000 LogP 6.39400
Solubility N/A 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 N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 355025-24-0 (Ki16425) Hazard Symbols IrritantXi
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]-;

Article Data 2

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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 355025-24-0