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CAS 175345-90-1 ((4-ethynylphenyl)ethynyl)triisopropylsilane molecular structure lightbox
CAS RN: 175345-90-1

((4-ethynylphenyl)ethynyl)triisopropylsilane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS175345-90-1
  • Purity/Analytical Methods: >99.0%
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175345-90-1 / 2-(4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane

Standard CAS: 175345-90-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175345-90-1
Multi CAS
No
Molecular Formula
C19H26Si
Molecular Weight
282.500000
Exact Mass
282.180377
SMILES
CC(C)[Si](C#CC1=CC=C(C=C1)C#C)(C(C)C)C(C)C
InChI
InChI=1S/C19H26Si/c1-8-18-9-11-19(12-10-18)13-14-20(15(2)3,16(4)5)17(6)7/h1,9-12,15-17H,2-7H3
InChIKey
ZGZVOFPKSXXWKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
Molar refractivity
92.3
TPSA
0.0000

LogP / Solubility

WLOGP
5.24
MLOGP
4.62
XLogP3
5.24
Consensus LogP
5.03
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble

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)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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