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CAS 263012-81-3 2-CHLORO-5-TRIMETHYLSILANYLETHYNYL-PYRIDINE molecular structure lightbox
CAS RN: 263012-81-3

2-CHLORO-5-TRIMETHYLSILANYLETHYNYL-PYRIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS263012-81-3
  • Purity/Analytical Methods: >99.0%
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263012-81-3 / 2-(6-chloro-3-pyridinyl)ethynyl-trimethylsilane

Standard CAS: 263012-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263012-81-3
Multi CAS
No
Molecular Formula
C10H12ClNSi
Molecular Weight
209.750000
Exact Mass
209.042754
SMILES
C[Si](C)(C)C#CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H12ClNSi/c1-13(2,3)7-6-9-4-5-10(11)12-8-9/h4-5,8H,1-3H3
InChIKey
CGJKMVMYUJVZRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
59.47
TPSA
12.89

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.96
Consensus LogP
2.84
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-1.9

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

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