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CAS 18056-97-8 4-triethoxysilyl-1,1′-biphenyl molecular structure lightbox
CAS RN: 18056-97-8

4-triethoxysilyl-1,1′-biphenyl

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18056-97-8
  • Purity/Analytical Methods: >99.0%
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18056-97-8 / triethoxy-(4-phenylphenyl)silane

Standard CAS: 18056-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18056-97-8
Multi CAS
No
Molecular Formula
C18H24O3Si
Molecular Weight
316.500000
Exact Mass
316.149471
SMILES
CCO[Si](C1=CC=C(C=C1)C2=CC=CC=C2)(OCC)OCC
InChI
InChI=1S/C18H24O3Si/c1-4-19-22(20-5-2,21-6-3)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3
InChIKey
KMISPMRSLVRNRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
92.14
TPSA
27.69

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.61
Consensus LogP
3.47
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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