Zibotentan supplier | CasNO.186497-07-4

Name
Zibotentan (ZD4054)
EINECS
CAS No. 186497-07-4
Article Data2
CAS DataBase
Density 1.423 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₆N₆O₄S
Boiling Point 636.996 °C at 760 mmHg
Molecular Weight 424.44
Flash Point 339.043 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Zibotentan;
PSA 141.37000
LogP 3.86020

Zibotentan Specification

The Zibotentan, with the CAS registry number 186497-07-4, is also known as Zibotentan. This chemical's molecular formula is C₁₉H₁₆N₆O₄S and molecular weight is 424.4331. What's more, its IUPAC name is N-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-
2-yl)phenyl]pyridine-3-sulfonamide. Its classification code is Treatment of prostate cancer.

Physical properties about Zibotentan are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 40; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 468; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 141.37 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 105.808 cm³; (15)Molar Volume: 298.312 cm³; (16)Polarizability: 41.945×10^-24cm³; (17)Surface Tension: 68.863 dyne/cm; (18)Density: 1.423 g/cm³; (19)Flash Point: 339.043 °C; (20)Enthalpy of Vaporization: 94.103 kJ/mol; (21)Boiling Point: 636.996 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ncc(nc1OC)C)c4cccnc4c3ccc(c2nnco2)cc3
(2) InChI:InChI=1/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
(3) InChIKey: FJHHZXWJVIEFGJ-UHFFFAOYAL

Product Name

Zibotentan (ZD4054)

Zibotentan Specification

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