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[ CAS No. 58620-93-2 ] {[proInfo.proName]}

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Chemical Structure| 58620-93-2
Chemical Structure| 58620-93-2
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Henein, Carolyn ; DOI:

Abstract: The semiconductor industry is growing at a rapid rate. As Moore's Law drives the demand for smaller and more efficient microelectronic devices, the need for advanced lithographic techniques and materials becomes paramount. In order to meet this demand, lithography has advanced from using deep ultraviolet (DUV) to extreme ultraviolet (EUV) light for patterning chemically amplified resists (CARs). Yet, overcoming nanoscale heterogeneities due to material stochastics remains a limiting factor in achieving high precision patterning. Sequence-defined, bio-inspired polymers, such as polypeptoids, can be employed to address the stochastic limitations inherent to synthetic polymers. This work explores polypeptoids as a materials platform for understanding the effects of sequence on patterning. Seven 10-mer polypeptoid sequences with varying architectures and terminal groups were synthesized and purified. The materials were characterized using analytical high performance liquid chromatography–mass spectrometry (HPLC–MS), differential scanning calorimeter (DSC), and UV-Vis spectrophotometry. Preliminary patterning results provide insight on the impact of monomer species and sequence on feature sizes, thereby demonstrating the potential of these materials in the semiconductor industry.

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Product Details of [ 58620-93-2 ]

CAS No. :58620-93-2 MDL No. :MFCD00058258
Formula : C7H16ClNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DOMTZTVJNZKUNX-UHFFFAOYSA-N
M.W : 181.66 Pubchem ID :16218890
Synonyms :
Chemical Name :H-β-Ala-OtBu.HCl

Calculated chemistry of [ 58620-93-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.76
TPSA : 52.32 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.89
Log Po/w (WLOGP) : 1.48
Log Po/w (MLOGP) : 1.08
Log Po/w (SILICOS-IT) : 0.42
Consensus Log Po/w : 0.77

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.26
Solubility : 9.91 mg/ml ; 0.0546 mol/l
Class : Very soluble
Log S (Ali) : -1.57
Solubility : 4.85 mg/ml ; 0.0267 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.21
Solubility : 11.3 mg/ml ; 0.0621 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 58620-93-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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