CAS No.1029872-54-5,Plx-4032 (RG7024) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1029872-54-5
Name:	Plx-4032 (RG7024)
Article Data:	13

Formula:	C₂₃H₁₈ClF₂N₃O₃S
Molecular Weight:	489.92
Synonyms:	RG7204;R7204;RO5185426;
EINECS:	800-227-2
Density:	1.474 g/cm³
PSA:	100.30000
LogP:	6.69800

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Specification

The PLX-4032, with CAS registry number 1029872-54-5, has the systematic name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl]propane-1-sulfonamide. Besides this, it is also called vemurafenibum. And the chemical formula of this chemical is C₂₃H₁₈ClF₂N₃O₃S.

Physical properties of PLX-4032: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.037; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 666.277; (6)ACD/BCF (pH 7.4): 65.465; (7)ACD/KOC (pH 5.5): 3510.723; (8)ACD/KOC (pH 7.4): 344.947; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 100.3 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 121.603 cm³; (15)Molar Volume: 332.367 cm³; (16)Polarizability: 48.207×10^-24cm³; (17)Surface Tension: 61.198 dyne/cm; (18)Density: 1.474 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F
(2)InChI: InChI=1/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
(3)InChIKey: GPXBXXGIAQBQNI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
(5)Std. InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N