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| CAS No.: | 528560-93-2 |
|---|---|
| Name: | EXECUTE STANDARD |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C34H32N4O2 |
| Molecular Weight: | 528.654 |
| Synonyms: | methyl 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylate; |
| Density: | 1.203 g/cm3 |
| Melting Point: | 170-175 °C |
| Boiling Point: | 771.187 °C at 760 mmHg |
| Flash Point: | 420.199 °C |
| PSA: | 61.94000 |
| LogP: | 7.35280 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
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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