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CAS 865869-27-8 TERT-BUTYLDIMETHYL(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYLOXY)SILANE molecular structure lightbox
CAS RN: 865869-27-8

TERT-BUTYLDIMETHYL(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYLOXY)SILANE

  • Product code: SSC-195767
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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: 0.25g
  • 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 865869-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

865869-27-8 / tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]oxysilane

Standard CAS: 865869-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865869-27-8
Multi CAS
No
Molecular Formula
BC18H35O3Si
Molecular Weight
338.400000
Exact Mass
338.244852
InChI
InChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-12-10-14(11-13-15)19-21-17(4,5)18(6,7)22-19/h10,15H,11-13H2,1-9H3
InChIKey
YORHLCKMVFBFLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
100.09
TPSA
27.69

LogP / Solubility

WLOGP
5.12
MLOGP
4.52
XLogP3
5.12
Consensus LogP
4.92
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

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
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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