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CAS 113534-13-7 2-Propanol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)- (9CI) molecular structure lightbox
CAS RN: 113534-13-7

2-Propanol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)- (9CI)

  • Product code: SSC-013652
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113534-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

113534-13-7 / (2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol

1-((tert-butyldimethylsilyl)oxy)propan-2-ol | 1-[(TERT-BUTYLDIMETHYLSILYL)OXY]PROPAN-2-OL | RefChem:419138

Standard CAS: 113534-13-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113534-13-7
Multi CAS
Yes
Molecular Formula
C9H22O2Si
Molecular Weight
190.350000
Exact Mass
190.138906
SMILES
C[C@@H](CO[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C9H22O2Si/c1-8(10)7-11-12(5,6)9(2,3)4/h8,10H,7H2,1-6H3/t8-/m0/s1
InChIKey
BJDDRAYUVSVPPR-QMMMGPOBSA-N
Synonyms
1-((tert-butyldimethylsilyl)oxy)propan-2-ol 1-[(TERT-BUTYLDIMETHYLSILYL)OXY]PROPAN-2-OL RefChem:419138 881-825-0 2-Propanol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.83
TPSA
29.46

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.39
Consensus LogP
2.29
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.18

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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