CAS No.599179-03-0,VICRIVIROC MALEATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	599179-03-0
Name:	VICRIVIROC MALEATE

Formula:	C₃₂H₄₂F₃N₅O₆
Molecular Weight:	649.70
Synonyms:	vicriviroc maleate; SCH-D;Vicriviroc maleate [USAN];Vicriviroc maleate;but-2-enedioic acid; (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone;
Boiling Point:	608.1 °C at 760 mmHg
Flash Point:	321.5 °C
PSA:	136.40000
LogP:	4.02620

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Specification

This chemical is called Vicriviroc maleate, and its systematic name is (4,6-Dimethylpyrimidin-5-yl){4-[(3S)-4-{(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}methanone (2Z)-but-2-enedioate (1:1). With the molecular formula of C₃₂H₄₂F₃N₅O₆, its molecular weight is 649.70. The CAS registry number of this chemical is 599179-03-0. Additionally, its product category is Research Reagents.

Other characteristics of the Vicriviroc maleate can be summarised as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 3.75; (8)ACD/KOC (pH 7.4): 99.07; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.8 Å²; (13)Flash Point: 321.5 °C; (14)Enthalpy of Vaporization: 90.35 kJ/mol; (15)Boiling Point: 608.1 °C at 760 mmHg; (16)Vapour Pressure: 9.89E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)\C=C/C(=O)O.FC(F)(F)c1ccc(cc1)[C@@H](N4[C@H](CN(C3(CCN(C(=O)c2c(ncnc2C)C)CC3)C)CC4)C)COC
2.InChI: InChI=1/C28H38F3N5O2.C4H4O4/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1
3.InChIKey: GXINKQQWHLIBJA-UCIBKFKQBK