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CAS 1036243-79-4 3,4-Bis[(tert-butyldimethylsilyl)oxy]benzyl Alcohol molecular structure lightbox
CAS RN: 1036243-79-4

3,4-Bis[(tert-butyldimethylsilyl)oxy]benzyl Alcohol

  • Product code: SSC-005187
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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, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 1036243-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

1036243-79-4 / [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol

3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzenemethanol | 3,4-Bis(((1,1-dimethylethyl)dimethylsilyl)oxy)benzenemethanol | RefChem:270666

Standard CAS: 1036243-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1036243-79-4
Multi CAS
No
Molecular Formula
C19H36O3Si2
Molecular Weight
368.700000
Exact Mass
368.220298
SMILES
CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)CO)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C19H36O3Si2/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)13-17(16)22-24(9,10)19(4,5)6/h11-13,20H,14H2,1-10H3
InChIKey
VQXBMHBNSMMAOR-UHFFFAOYSA-N
Synonyms
3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzenemethanol 3,4-Bis(((1,1-dimethylethyl)dimethylsilyl)oxy)benzenemethanol RefChem:270666 3,4-Bis[(tert-butyldimethylsilyl)oxy]benzyl Alcohol MFCD30742688

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.01
TPSA
38.69

LogP / Solubility

WLOGP
5.95
MLOGP
5.25
XLogP3
5.95
Consensus LogP
5.72
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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