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CAS 275386-60-2 (4-((Trimethylsilyl)ethynyl)phenyl)methanol molecular structure lightbox
CAS RN: 275386-60-2

(4-((Trimethylsilyl)ethynyl)phenyl)methanol

  • Product code: SSC-127059
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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 275386-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

275386-60-2 / [4-(2-trimethylsilylethynyl)phenyl]methanol

Standard CAS: 275386-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
275386-60-2
Multi CAS
No
Molecular Formula
C12H16OSi
Molecular Weight
204.340000
Exact Mass
204.097042
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)CO
InChI
InChI=1S/C12H16OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,13H,10H2,1-3H3
InChIKey
WBNXRSFSSANBSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.59
TPSA
20.23

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.26

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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