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CAS 2828446-92-8 2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole molecular structure lightbox
CAS RN: 2828446-92-8

2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole

  • Product code: SSC-129303
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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 2828446-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2828446-92-8 / tert-butyl-dimethyl-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methoxy]silane

Standard CAS: 2828446-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2828446-92-8
Multi CAS
No
Molecular Formula
C16H30BNO3SSi
Molecular Weight
355.400000
Exact Mass
355.180872
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H30BNO3SSi/c1-14(2,3)23(8,9)19-11-13-18-10-12(22-13)17-20-15(4,5)16(6,7)21-17/h10H,11H2,1-9H3
InChIKey
PWVURJPJSOHOIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.82
TPSA
40.58

LogP / Solubility

WLOGP
3.96
MLOGP
3.51
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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