CAS No.62658-63-3,2-PROPANOL, 1-[(1,1-DIMETHYLETHYL)AMINO]-3-[(2-METHYL-1H-INDOL-4-YL)OXY]-, BENZOATE (ESTER) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62658-63-3
Name:	2-PROPANOL, 1-[(1,1-DIMETHYLETHYL)AMINO]-3-[(2-METHYL-1H-INDOL-4-YL)OXY]-, BENZOATE (ESTER)

Formula:	C₂₃H₂₈N₂O₃
Molecular Weight:	380.48
Synonyms:	LT 31-200;Bopindolol [USAN:INN];[1-[(2-methyl-1H-indol-4-yl)oxy]-3-(tert-butylamino)propan-2-yl] benzoate;(+-)-Bopindolol;(+-)-1-(tert-Butylamino)-3-((2-methylindol-4-yl)oxy)-2-propanol benzoate (ester);2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), (+-)-;[1-butylamino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate;Bopindololum [INN-Latin];(+-)-4-(2-Benzoyloxy-3-tert-butylaminopropoxy)-2-methylindole;(+-)-1-((1,1-Dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-2-propanol benzoate (ester);
Density:	1.143 g/cm³
Boiling Point:	557 °C at 760 mmHg
Flash Point:	290.7 °C
PSA:	63.35000
LogP:	4.85970

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Specification

The Bopindolol is an organic compound with the formula C₂₃H₂₈N₂O₃. The IUPAC name of this chemical is [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate. With the CAS registry number 62658-63-3, it is also named as 2-(tert-butylamino)-1-{[(2-methyl-1H-indol-4-yl)oxy]methyl}ethyl benzoate. Besides, it is used to treat high blood pressure and angina.

Physical properties about Bopindolol are: (1)ACD/LogP: 4.90; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 3.63; (4)ACD/BCF (pH 5.5): 4.69; (5)ACD/BCF (pH 7.4): 169.1; (6)ACD/KOC (pH 5.5): 16.59; (7)ACD/KOC (pH 7.4): 598.15; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 43.7 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 112.69 cm³; (14)Molar Volume: 332.7 cm³; (15)Polarizability: 44.67×10^-24cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.143 g/cm³; (18)Flash Point: 290.7 °C; (19)Enthalpy of Vaporization: 83.87 kJ/mol; (20)Boiling Point: 557 °C at 760 mmHg; (21)Vapour Pressure: 1.92E-12 mmHg at 25°C.

Preparation of Bopindolol: this chemical can be prepared by 1-(Boc-amino)-3-[(2-methyl-4-indolyl) oxy]-2-propanol, benzoic acid and hexamethyl phosphoric amide.

Bopindolol can be prepared by 1 - (Boc-amino)-3-[(2-methyl-4-indolyl) oxy]-2-propanol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(CNC(C)(C)C)COc1cccc2c1cc(n2)C)c3ccccc3
(2)InChI: InChI=1/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
(3)InChIKey: UUOJIACWOAYWEZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
(5)Std. InChIKey: UUOJIACWOAYWEZ-UHFFFAOYSA-N