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CAS 83405-98-5 Benzoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- molecular structure lightbox
CAS RN: 83405-98-5

Benzoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-

  • Product code: SSC-191248
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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 83405-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

83405-98-5 / 4-[tert-butyl(dimethyl)silyl]oxybenzoic acid

Standard CAS: 83405-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83405-98-5
Multi CAS
No
Molecular Formula
C13H20O3Si
Molecular Weight
252.380000
Exact Mass
252.118171
InChI
InChI=1S/C13H20O3Si/c1-13(2,3)17(4,5)16-11-8-6-10(7-9-11)12(14)15/h6-9H,1-5H3,(H,14,15)
InChIKey
FOSJKFHVBPZYIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.23
TPSA
46.53

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.77
Consensus LogP
3.62
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.58

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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