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CAS 1146162-54-0 1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]- molecular structure lightbox
CAS RN: 1146162-54-0

1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-

  • Product code: SSC-014324
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1146162-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1146162-54-0 / trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole | MFCD26403372 | 1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-

Standard CAS: 1146162-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1146162-54-0
Multi CAS
No
Molecular Formula
C15H29BN2O3Si
Molecular Weight
324.300000
Exact Mass
324.204050
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)COCC[Si](C)(C)C
InChI
InChI=1S/C15H29BN2O3Si/c1-14(2)15(3,4)21-16(20-14)13-8-9-18(17-13)12-19-10-11-22(5,6)7/h8-9H,10-12H2,1-7H3
InChIKey
JQXHEFASXNSIRB-UHFFFAOYSA-N
Synonyms
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole MFCD26403372 1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]- trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane (1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrazol-3-yl)boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
92.05
TPSA
45.51

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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