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CAS 80180-46-7 2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]phenol molecular structure lightbox
CAS RN: 80180-46-7

2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]phenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS80180-46-7
  • Purity/Analytical Methods: >99.0%
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80180-46-7 / 2-[tert-butyl(dimethyl)silyl]oxyphenol

Standard CAS: 80180-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80180-46-7
Multi CAS
No
Molecular Formula
C12H20O2Si
Molecular Weight
224.370000
Exact Mass
224.123256
InChI
InChI=1S/C12H20O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-9,13H,1-5H3
InChIKey
LCTNVXUTAZVSEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.93
TPSA
29.46

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.78
Consensus LogP
3.63
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-1.41

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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