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CAS 122760-31-0 2-phenyl-2-(trimethylsilyl)ethanol molecular structure lightbox
CAS RN: 122760-31-0

2-phenyl-2-(trimethylsilyl)ethanol

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Batchno.20260326 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS122760-31-0
  • Purity/Analytical Methods: >99.0%
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122760-31-0 / 2-phenyl-2-trimethylsilylethanol

Standard CAS: 122760-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122760-31-0
Multi CAS
No
Molecular Formula
C11H18OSi
Molecular Weight
194.340000
Exact Mass
194.112692
SMILES
C[Si](C)(C)C(CO)C1=CC=CC=C1
InChI
InChI=1S/C11H18OSi/c1-13(2,3)11(9-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKey
CRJTTYGVPSXCRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.61
TPSA
20.23

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.64
Consensus LogP
2.53
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.03

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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