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CAS 18027-97-9 1-(TRIMETHYLSILYL)-4-ISO-PROPYLBENZENE molecular structure lightbox
CAS RN: 18027-97-9

1-(TRIMETHYLSILYL)-4-ISO-PROPYLBENZENE

  • Product code: SSC-080692
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18027-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18027-97-9 / trimethyl-(4-propan-2-ylphenyl)silane

Standard CAS: 18027-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18027-97-9
Multi CAS
No
Molecular Formula
C12H20Si
Molecular Weight
192.370000
Exact Mass
192.133427
SMILES
CC(C)C1=CC=C(C=C1)[Si](C)(C)C
InChI
InChI=1S/C12H20Si/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-10H,1-5H3
InChIKey
PXFOGPKCOTUXEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
63.51
TPSA
0.0000

LogP / Solubility

WLOGP
3.36
MLOGP
2.95
XLogP3
3.36
Consensus LogP
3.22
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

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

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