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CAS 84494-81-5 P-(T-BUTYLDIMETHYLSILOXY)STYRENE molecular structure lightbox
CAS RN: 84494-81-5

P-(T-BUTYLDIMETHYLSILOXY)STYRENE

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Batchno.20260308 10g In stock Shanghai Inquiry
  • Product code: starshine_CAS84494-81-5
  • Purity/Analytical Methods: >99.0%
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84494-81-5 / tert-butyl-(4-ethenylphenoxy)-dimethylsilane

Standard CAS: 84494-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84494-81-5
Multi CAS
No
Molecular Formula
C14H22OSi
Molecular Weight
234.410000
Exact Mass
234.143992
InChI
InChI=1S/C14H22OSi/c1-7-12-8-10-13(11-9-12)15-16(5,6)14(2,3)4/h7-11H,1H2,2-6H3
InChIKey
QVPBMCKCBQURHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
74.36
TPSA
9.23

LogP / Solubility

WLOGP
4.71
MLOGP
4.15
XLogP3
4.71
Consensus LogP
4.52
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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)
-0.8

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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