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CAS 134856-58-9 ((4-Iodophenyl)ethynyl)trimethylsilane molecular structure lightbox
CAS RN: 134856-58-9

((4-Iodophenyl)ethynyl)trimethylsilane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-042717
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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: 5g
  • 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 134856-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

134856-58-9 / 2-(4-iodophenyl)ethynyl-trimethylsilane

Standard CAS: 134856-58-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134856-58-9
Multi CAS
No
Molecular Formula
C11H13ISi
Molecular Weight
300.210000
Exact Mass
299.983120
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)I
InChI
InChI=1S/C11H13ISi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey
WOOFAKCCTQIPLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
Molar refractivity
69.38
TPSA
0.0000

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3.52
Consensus LogP
3.38
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501

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