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CAS 124389-79-3 4-[2-(Triethoxysilyl)vinyl]benzocyclobutene molecular structure lightbox
CAS RN: 124389-79-3

4-[2-(Triethoxysilyl)vinyl]benzocyclobutene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS124389-79-3
  • Purity/Analytical Methods: >99.0%
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124389-79-3 / [(E)-2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]-triethoxysilane

Standard CAS: 124389-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124389-79-3
Multi CAS
No
Molecular Formula
C16H22O3Si
Molecular Weight
290.430000
Exact Mass
290.133821
SMILES
CCO[Si](/C=C/C1=CC2=C(C=C1)C=C2)(OCC)OCC
InChI
InChI=1S/C16H22O3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-8-15-9-10-16(15)13-14/h7-13H,4-6H2,1-3H3/b12-11+
InChIKey
WVWFIBXBKFSCFL-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
85.04
TPSA
27.69

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3.77
Consensus LogP
3.62
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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)
-1.81

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
1.5

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