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CAS 2833707-03-0 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-pyridyl)ethanol molecular structure lightbox
CAS RN: 2833707-03-0

2-[tert-butyl(dimethyl)silyl]oxy-1-(2-pyridyl)ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
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2833707-03-0 / 2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethanol

2-[tert-butyl(dimethyl)silyl]oxy-1-(2-pyridyl)ethanol | SCHEMBL30318373 | MFCD34801773

Standard CAS: 2833707-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2833707-03-0
Multi CAS
No
Molecular Formula
C13H23NO2Si
Molecular Weight
253.410000
Exact Mass
253.149806
SMILES
CC(C)(C)[Si](C)(C)OCC(C1=CC=CC=N1)O
InChI
InChI=1S/C13H23NO2Si/c1-13(2,3)17(4,5)16-10-12(15)11-8-6-7-9-14-11/h6-9,12,15H,10H2,1-5H3
InChIKey
WKYRJYLECFRJPO-UHFFFAOYSA-N
Synonyms
2-[tert-butyl(dimethyl)silyl]oxy-1-(2-pyridyl)ethanol SCHEMBL30318373 MFCD34801773 PS-19349 G15319

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.35
TPSA
42.35

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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