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CAS 2338684-84-5 2-[2-[(tert-Butyldimethylsilyl)oxy]phenyl]acetonitrile molecular structure lightbox
CAS RN: 2338684-84-5

2-[2-[(tert-Butyldimethylsilyl)oxy]phenyl]acetonitrile

  • Product code: SSC-113117
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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, 5g, 10g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 2338684-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry

2338684-84-5 / 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]acetonitrile

Standard CAS: 2338684-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2338684-84-5
Multi CAS
No
Molecular Formula
C14H21NOSi
Molecular Weight
247.410000
Exact Mass
247.139241
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=CC=C1CC#N
InChI
InChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-13-9-7-6-8-12(13)10-11-15/h6-9H,10H2,1-5H3
InChIKey
ZSSMFHRISYNPDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.58
TPSA
33.02

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
4.14
Consensus LogP
3.98
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

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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