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CAS 2096-54-0 4,4′-Bis(dimethylhydroxysilyl)diphenyl ether molecular structure lightbox
CAS RN: 2096-54-0

4,4′-Bis(dimethylhydroxysilyl)diphenyl ether

  • Product code: SSC-099399
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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 2096-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2096-54-0 / hydroxy-[4-[4-[hydroxy(dimethyl)silyl]phenoxy]phenyl]-dimethylsilane

Standard CAS: 2096-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2096-54-0
Multi CAS
No
Molecular Formula
C16H22O3Si2
Molecular Weight
318.510000
Exact Mass
318.110748
SMILES
C[Si](C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)[Si](C)(C)O)O
InChI
InChI=1S/C16H22O3Si2/c1-20(2,17)15-9-5-13(6-10-15)19-14-7-11-16(12-8-14)21(3,4)18/h5-12,17-18H,1-4H3
InChIKey
VZSUUFCWNGDTIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.63
TPSA
49.69

LogP / Solubility

WLOGP
2.29
MLOGP
2.03
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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