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CAS 31683-47-3 trimethyl(3-phenylprop-1-ynyl)silane molecular structure lightbox
CAS RN: 31683-47-3

trimethyl(3-phenylprop-1-ynyl)silane

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Batchno.20260328 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS31683-47-3
  • Purity/Analytical Methods: >99.0%
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31683-47-3 / trimethyl(3-phenylprop-1-ynyl)silane

Standard CAS: 31683-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31683-47-3
Multi CAS
No
Molecular Formula
C12H16Si
Molecular Weight
188.340000
Exact Mass
188.102127
InChI
InChI=1S/C12H16Si/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKey
KSFXECUKKKCCEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
61.27
TPSA
0.0000

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.11
Consensus LogP
2.99
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-1.66

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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