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CAS 2146146-58-7 3-fluoro-4-((trimethylsilyl)ethynyl)aniline Benzenamine, 3-fluoro-4-[2-(trimethylsilyl)ethynyl]- molecular structure lightbox
CAS RN: 2146146-58-7

3-fluoro-4-((trimethylsilyl)ethynyl)aniline Benzenamine, 3-fluoro-4-[2-(trimethylsilyl)ethynyl]-

  • Product code: SSC-102907
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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, 5g, 1g, 10g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 2146146-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
5g -- 4 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
1g -- 3 In Stock Shanghai Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
10g -- 3 In Stock Beijing Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry

2146146-58-7 / 3-fluoro-4-(2-trimethylsilylethynyl)aniline

Standard CAS: 2146146-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2146146-58-7
Multi CAS
No
Molecular Formula
C11H14FNSi
Molecular Weight
207.320000
Exact Mass
207.087954
SMILES
C[Si](C)(C)C#CC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C11H14FNSi/c1-14(2,3)7-6-9-4-5-10(13)8-11(9)12/h4-5,8H,13H2,1-3H3
InChIKey
XIWRRRNSZSQYRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.04
TPSA
26.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.64
Consensus LogP
2.53
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.11

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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