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CAS 1454907-13-1 5-Bromo-2-(tert-butyl-dimethyl-silanyloxymethyl)-oxazole molecular structure lightbox
CAS RN: 1454907-13-1

5-Bromo-2-(tert-butyl-dimethyl-silanyloxymethyl)-oxazole

  • Product code: SSC-056813
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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 1454907-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1454907-13-1 / (5-bromo-1,3-oxazol-2-yl)methoxy-tert-butyl-dimethylsilane

Standard CAS: 1454907-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1454907-13-1
Multi CAS
No
Molecular Formula
C10H18BrNO2Si
Molecular Weight
292.240000
Exact Mass
291.029020
SMILES
CC(C)(C)[Si](C)(C)OCC1=NC=C(O1)Br
InChI
InChI=1S/C10H18BrNO2Si/c1-10(2,3)15(4,5)13-7-9-12-6-8(11)14-9/h6H,7H2,1-5H3
InChIKey
COCVOKHTIXXPES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
66.19
TPSA
35.26

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.96
Consensus LogP
3.8
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

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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