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CAS 188978-71-4 1-((2-(Trimethylsilyl)ethoxy)methyl)pyrazole-5-boronic molecular structure lightbox
CAS RN: 188978-71-4

1-((2-(Trimethylsilyl)ethoxy)methyl)pyrazole-5-boronic

  • Product code: SSC-088064
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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: 1g
  • 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 188978-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

188978-71-4 / [2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid

Standard CAS: 188978-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188978-71-4
Multi CAS
No
Molecular Formula
C9H19BN2O3Si
Molecular Weight
242.160000
Exact Mass
242.125799
SMILES
B(C1=CC=NN1COCC[Si](C)(C)C)(O)O
InChI
InChI=1S/C9H19BN2O3Si/c1-16(2,3)7-6-15-8-12-9(10(13)14)4-5-11-12/h4-5,13-14H,6-8H2,1-3H3
InChIKey
UEDFWLZMMDKEDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.16
TPSA
67.51

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.1
XLogP3
-0.12
Consensus LogP
-0.11
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

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)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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