Vicriviroc Malate supplier | CasNO.541503-81-5

Name
Vicriviroc Malate
EINECS
CAS No. 541503-81-5
Density
Solubility
Melting Point
Formula C₂₈H₃₈F₃N₅O₂.C₄H₆O₅
Boiling Point 608.1 °C at 760 mmHg
Molecular Weight 667.72
Flash Point 321.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-hydroxybutanedioic acid - (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 (1:1);
PSA 156.63000
LogP 3.22100

Vicriviroc Malate Specification

The CAS registry number of Vicriviroc Malate is 541503-81-5. The IUPAC name is 2-hydroxybutanedioic acid - (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 (1:1). In addition, the molecular formula is C₂₈H₃₈F₃N₅O₂.C₄H₆O₅ and the molecular weight is 667.72.

Physical properties about Vicriviroc Malate are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 99; (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)CC(O)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.C4H6O5/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;5-2(4(8)9)1-3(6)7/h6-9,18-19,24H,10-17H2,1-5H3;2,5H,1H2,(H,6,7)(H,8,9)/t19-,24-;/m0./s1
(3)InChIKey: HQJIGHNTROUVLT-RIAYWLAYBL

Product Name

Vicriviroc Malate

Vicriviroc Malate Specification

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