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CAS 2117-12-6 4-TRIMETHYLSILYL-3-BUTYN-1-OL molecular structure lightbox
CAS RN: 2117-12-6

4-TRIMETHYLSILYL-3-BUTYN-1-OL

  • Product code: SSC-101131
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 5g, 10g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2117-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 3 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shanghai Inquiry
100g >97% 1 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

2117-12-6 / 4-trimethylsilylbut-3-yn-1-ol

Standard CAS: 2117-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2117-12-6
Multi CAS
No
Molecular Formula
C7H14OSi
Molecular Weight
142.270000
Exact Mass
142.081392
SMILES
C[Si](C)(C)C#CCCO
InChI
InChI=1S/C7H14OSi/c1-9(2,3)7-5-4-6-8/h8H,4,6H2,1-3H3
InChIKey
VSTMVAFCUIGHQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.82
TPSA
20.23

LogP / Solubility

WLOGP
1.25
MLOGP
1.09
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-2.7

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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