Avosentan supplier | CasNO.290815-26-8

Name
avosentan
EINECS
CAS No. 290815-26-8
Article Data2
CAS DataBase
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₂₃H₂₁N₅O₅S
Boiling Point 575.472 °C at 760 mmHg
Molecular Weight 479.516
Flash Point 301.835 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms SPP-301;Ro 67-0565;N-[6-Methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methyl-2-pyridinesulfonamide;5-Methylpyridine-2-sulfonic acid (6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)amide;
PSA 133.80000
LogP 5.00610

Avosentan Specification

The Avosentan, with the CAS registry number 290815-26-8, is also known as 5-Methylpyridine-2-sulfonic acid (6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)amide. This chemical's molecular formula is C₂₃H₂₁N₅O₅S and molecular weight is 479.51. What's more, its systematic name is N-[6-Methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methyl-2-pyridinesulfonamide.

Physical properties of Avosentan are: (1)ACD/LogP: 0.866; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 133.8 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 123.633 cm³; (15)Molar Volume: 351.598 cm³; (16)Polarizability: 49.012×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.364 g/cm³; (19)Flash Point: 301.835 °C; (20)Enthalpy of Vaporization: 86.194 kJ/mol; (21)Boiling Point: 575.472 °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)(c1ncc(cc1)C)Nc3nc(nc(OC)c3Oc2ccccc2OC)c4ccncc4
(2)Std. InChI: InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)
(3)Std. InChIKey: YBWLTKFZAOSWSM-UHFFFAOYSA-N

Product Name

avosentan

Avosentan Specification

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