CAS No.1134156-31-2,5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1134156-31-2
Name:	5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
Article Data:	1

Formula:	C₂₅H₂₃Cl₂N₇O₄
Molecular Weight:	556.408
Synonyms:	5'-O-(4-Cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine;
Density:	1.63 g/cm³
Boiling Point:	856.3 °C at 760 mmHg
Flash Point:	471.7 °C
PSA:	164.36000
LogP:	3.68928

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Specification

The VER-155008, with the CAS registry number of 1134156-31-2, is also known as Adenosine, 5'-O-[(4-cyanophenyl)methyl]-8-[[(3, 4-dichlorophenyl)methyl]amino]-. This chemical's molecular formula is C₂₅H₂₃Cl₂N₇O₄ and molecular weight is 556.4. What's more, its systematic name is 5'-O-(4-Cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine. Besides, it should be desiccated at room temperature.

Physical properties about VER-155008 are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 56.3; (6)ACD/BCF (pH 7.4): 67.23; (7)ACD/KOC (pH 5.5): 592.13; (8)ACD/KOC (pH 7.4): 707.12; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 164.36 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 138.7 cm³; (15)Molar Volume: 341.1 cm³; (16)Surface Tension: 68.2 dyne/cm; (17)Density: 1.63 g/cm³; (18)Flash Point: 471.7 °C; (19)Enthalpy of Vaporization: 130.39 kJ/mol; (20)Boiling Point: 856.3 °C at 760 mmHg; (21)Vapour Pressure: 3.14E-31 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N
(2) InChI: InChI=1/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
(3) InChIKey: ZXGGCBQORXDVTE-UMCMBGNQBC