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CAS 216309-28-3 5-((Trimethylsilyl)ethynyl)pyrimidine molecular structure lightbox
CAS RN: 216309-28-3

5-((Trimethylsilyl)ethynyl)pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 100mg / 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-103655
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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: ＞97%
  • 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 216309-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

216309-28-3 / trimethyl(2-pyrimidin-5-ylethynyl)silane

Standard CAS: 216309-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216309-28-3
Multi CAS
No
Molecular Formula
C9H12N2Si
Molecular Weight
176.290000
Exact Mass
176.076975
SMILES
C[Si](C)(C)C#CC1=CN=CN=C1
InChI
InChI=1S/C9H12N2Si/c1-12(2,3)5-4-9-6-10-8-11-7-9/h6-8H,1-3H3
InChIKey
BESYUGWNHQDZIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.26
TPSA
25.78

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.58

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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