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CAS 52287-50-0 1-(TRIMETHYLSILYL)-3,4-(METHYLENEDIOXY)BENZENE molecular structure lightbox
CAS RN: 52287-50-0

1-(TRIMETHYLSILYL)-3,4-(METHYLENEDIOXY)BENZENE

  • Product code: SSC-159382
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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 52287-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52287-50-0 / 1,3-benzodioxol-5-yl(trimethyl)silane

Standard CAS: 52287-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52287-50-0
Multi CAS
No
Molecular Formula
C10H14O2Si
Molecular Weight
194.300000
Exact Mass
194.076306
InChI
InChI=1S/C10H14O2Si/c1-13(2,3)8-4-5-9-10(6-8)12-7-11-9/h4-6H,7H2,1-3H3
InChIKey
STQNYNYJKVBZRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.55
TPSA
18.46

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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