CAS RN: 123640-93-7
4 4′-BIS(TRIETHOXYSILYL)-1 1′-BIPHENYL
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS123640-93-7
- Purity/Analytical Methods: >99.0%
123640-93-7 / triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane
Basic Information
CAS
123640-93-7
Multi CAS
No
Molecular Formula
C24H38O6Si2
Molecular Weight
478.700000
Exact Mass
478.220692
SMILES
CCO[Si](C1=CC=C(C=C1)C2=CC=C(C=C2)[Si](OCC)(OCC)OCC)(OCC)OCC
InChI
InChI=1S/C24H38O6Si2/c1-7-25-31(26-8-2,27-9-3)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32(28-10-4,29-11-5)30-12-6/h13-20H,7-12H2,1-6H3
InChIKey
KENDGHJJHKCUNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
132.41
TPSA
55.38
LogP / Solubility
WLOGP
3.86
MLOGP
3.43
XLogP3
3.86
Consensus LogP
3.72
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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