Ambrisentan supplier | CasNO.177036-94-1

Name
Ambrisentan
EINECS 658-059-9
CAS No. 177036-94-1
Article Data19
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point >150°C (dec.)
Formula C₂₂H₂₂N₂O₄
Boiling Point 551.1 °C at 760 mmHg
Molecular Weight 378.428
Flash Point 287.1 °C
Transport Information
Appearance
Safety 53-36/37/39-45
Risk Codes 62/63
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanoicacid, a-[(4,6-dimethyl-2-pyrimidinyl)oxy]-b-methoxy-b-phenyl-, (S)-;BSF208075;LU 208075;
PSA 81.54000
LogP 3.51560

Ambrisentan Specification

The Ambrisentan, with its CAS registry number 177036-94-1, has the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid. As to its usage, it is usually applied as the ET(A) receptor antagonist and it could be also studied for use as in pulmonary arterial hypertension, with the product categories including APIs; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals.

The physical properties of this chemical are as below: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 70.54; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 104.38 cm³; (9)Molar Volume: 307.9 cm³; (10)Polarizability: 41.38×10^-24 cm³; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.228 g/cm³; (13)Flash Point: 287.1 °C; (14)Enthalpy of Vaporization: 87.49 kJ/mol; (15)Boiling Point: 551.1 °C at 760 mmHg; (16)Vapour Pressure: 5.56E-13 mmHg at 25°C; (17)Exact Mass: 378.157957; (18)MonoIsotopic Mass: 378.157957; (19)Topological Polar Surface Area: 81.5; (20)Heavy Atom Count: 28; (21)Complexity: 475.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
(2)InChI: InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)
(3)InChIKey: OUJTZYPIHDYQMC-UHFFFAOYSA-N

Product Name

Ambrisentan

Ambrisentan Specification

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