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[ CAS No. 128143-89-5 ] {[proInfo.proName]}

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Chemical Structure| 128143-89-5
Chemical Structure| 128143-89-5
Structure of 128143-89-5 * Storage: {[proInfo.prStorage]}

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Gaurav K. Pande ; Brian P. Radka ; Joselle M. McCracken , et al. DOI:

Abstract: The selective reflection inherent to the cholesteric liquid crystal (CLC) phase (in the planar orientation) can be tuned or broadened by the incorporation of polymer stabilizing networks (PSCLC). Prior reports detail that the mechanism is ion-mediated deformation of the polymer stabilizing network, which retains structural chirality. The structural chirality of the polymer stabilizing effectively overpowers the chirality of the CLC mixture. Here, we incorporate monomers containing groups known to trap cationic metal halide ions, into the polymer stabilizing network. Specifically, we incorporate monofunctional control monomers as well as monofunctional acrylate monomers 4-acryloxyhexylterpyridine (TPy-Ac), 4-((6-(acryloyloxy)hexyl)oxy)benzoic-15-crown-5 (OBA-15C5), and 4-((6-(acryloyloxy)hexyl)oxy)benzoic-18-crown-6 (OBA-18C6). The electro-optic response is enhanced only by the inclusion of OBA-15C5 which previously has been shown to selectively trap and interact with sodium (Na+) ions.

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Xu, Jialing ; Slykas, Cheryl ; Braegelman, Adam S. , et al. DOI:

Abstract: Sorbents with structures tailored at the mol. through device scales are needed to meet the demand for separations that can isolate trace analytes from complex mixtures Here, direct-ink-writing three-dimensional (3D) printing is combined with a surface-segregation and vapor-induced phase separation (SVIPS) process to create hierarchically structured sorbents that satisfy this criterion. Composite inks containing polysulfone, polystyrene-block-poly(acrylic acid) (PS-PAA), and carbon nanotubes (CNTs) were formulated to allow these processes to proceed simultaneously. Enriching the inks with CNTs modulated their rheol. characteristics such that microstructured sorbents with permeabilities of ~105 L m-2 h-1 bar-1 could be printed. The SVIPS process generated an interconnected network of PAA-lined nanopores whose chem. was tailored to produce sorbents that recovered Co2+ selectively from mixtures of Co2+ and Li+ and efficiently treated sub-ppm feed solutions under dynamic flow conditions. The versatile combination of 3D printing and SVIPS provides new strategies for manufacturing next-generation sorbents with structures controlled across multiple length scales.

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Product Details of [ 128143-89-5 ]

CAS No. :128143-89-5 MDL No. :MFCD00191930
Formula : C15H10ClN3 Boiling Point : -
Linear Structure Formula :Cl(C5H2N)(C5H4N)2 InChI Key :AHEMFMCEBIJRMU-UHFFFAOYSA-N
M.W : 267.71 Pubchem ID :667748
Synonyms :

Calculated chemistry of [ 128143-89-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 75.71
TPSA : 38.67 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.87
Log Po/w (XLOGP3) : 2.59
Log Po/w (WLOGP) : 3.86
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 4.08
Consensus Log Po/w : 3.02

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.7
Solubility : 0.0533 mg/ml ; 0.000199 mol/l
Class : Soluble
Log S (Ali) : -3.05
Solubility : 0.238 mg/ml ; 0.000889 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.93
Solubility : 0.0000314 mg/ml ; 0.000000117 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.27

Safety of [ 128143-89-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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