Telmisartan methyl ester supplier

Name
EXECUTE STANDARD
EINECS
CAS No. 528560-93-2
Article Data19
CAS DataBase
Density 1.203 g/cm³
Solubility
Melting Point 170-175 °C
Formula C₃₄H₃₂N₄O₂
Boiling Point 771.187 °C at 760 mmHg
Molecular Weight 528.654
Flash Point 420.199 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms methyl 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylate;
PSA 61.94000
LogP 7.35280

Telmisartan methyl ester Specification

The Telmisartan methyl ester, with the CAS registry number 528560-93-2, has the systematic name of methyl 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylate. It belongs to the product category of Intermediate of Telmisartan. And the molecular formula of this chemical is C₃₄H₃₂N₄O₂.

The physical properties of 4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazole]-1'-yl)methyl]-1,1'-biphenyl-2-carboxylic acid methyl ester are as following: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 382169; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 238345; (8)ACD/KOC (pH 7.4): 845085; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.94 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 159.472 cm³; (15)Molar Volume: 439.272 cm³; (16)Polarizability: 63.22×10^-24cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 420.199 °C; (20)Enthalpy of Vaporization: 112.265 kJ/mol; (21)Boiling Point: 771.187 °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=C(OC)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(c4nc3CCC)C)c5nc6ccccc6n5C
(2)InChI: InChI=1/C34H32N4O2/c1-5-10-31-36-32-22(2)19-25(33-35-28-13-8-9-14-29(28)37(33)3)20-30(32)38(31)21-23-15-17-24(18-16-23)26-11-6-7-12-27(26)34(39)40-4/h6-9,11-20H,5,10,21H2,1-4H3
(3)InChIKey: HJCCZIABCSDUPE-UHFFFAOYAL

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Telmisartan methyl ester Specification

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