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CAS 104784-51-2 TRIMETHYLNAPHTHALEN-1-YLETHYNYLSILANE molecular structure lightbox
CAS RN: 104784-51-2

TRIMETHYLNAPHTHALEN-1-YLETHYNYLSILANE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS104784-51-2
  • Purity/Analytical Methods: >99.0%
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104784-51-2 / trimethyl(2-naphthalen-1-ylethynyl)silane

1-(1-Naphthyl)-2-(trimethylsilyl)acetylene | DTXSID70403302 | RefChem:222571

Standard CAS: 104784-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104784-51-2
Multi CAS
No
Molecular Formula
C15H16Si
Molecular Weight
224.370000
Exact Mass
224.102127
SMILES
C[Si](C)(C)C#CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H16Si/c1-16(2,3)12-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,1-3H3
InChIKey
WATBCTJRCLNXNF-UHFFFAOYSA-N
Synonyms
1-(1-Naphthyl)-2-(trimethylsilyl)acetylene DTXSID70403302 RefChem:222571 DTXCID00354156 TRIMETHYLNAPHTHALEN-1-YLETHYNYLSILANE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
Molar refractivity
74.17
TPSA
0.0000

LogP / Solubility

WLOGP
4.07
MLOGP
3.58
XLogP3
4.07
Consensus LogP
3.91
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

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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