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CAS 1268810-14-5 1-[(Trimethylsilyl)ethynyl]cyclobutanecarboxylic Acid molecular structure lightbox
CAS RN: 1268810-14-5

1-[(Trimethylsilyl)ethynyl]cyclobutanecarboxylic Acid

  • Product code: SSC-034148
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1268810-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1268810-14-5 / 1-(2-trimethylsilylethynyl)cyclobutane-1-carboxylic acid

Standard CAS: 1268810-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268810-14-5
Multi CAS
No
Molecular Formula
C10H16O2Si
Molecular Weight
196.320000
Exact Mass
196.091956
SMILES
C[Si](C)(C)C#CC1(CCC1)C(=O)O
InChI
InChI=1S/C10H16O2Si/c1-13(2,3)8-7-10(9(11)12)5-4-6-10/h4-6H2,1-3H3,(H,11,12)
InChIKey
ICEFRTMWNGJLFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.04
TPSA
37.3

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-2.41

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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