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CAS 94593-08-5 1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane molecular structure lightbox
CAS RN: 94593-08-5

1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251207 1g In stock Inquiry
Batchno.20250828 5g In stock Inquiry
  • Product code: ICTD3734
  • Purity/Analytical Methods: >90.0%(GC)
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94593-08-5 / methoxy-[methoxy(diphenyl)silyl]oxy-diphenylsilane

Standard CAS: 94593-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94593-08-5
Multi CAS
No
Molecular Formula
C26H26O3Si2
Molecular Weight
442.700000
Exact Mass
442.142048
InChI
InChI=1S/C26H26O3Si2/c1-27-30(23-15-7-3-8-16-23,24-17-9-4-10-18-24)29-31(28-2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKey
CDHRQJOOOVAAFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
130.91
TPSA
27.69

LogP / Solubility

WLOGP
2.81
MLOGP
2.5
XLogP3
2.81
Consensus LogP
2.71
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
Yes
Log Kp (skin permeation)
-3.43

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
3

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