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CAS 17082-69-8 2-[2-(TRICHLOROSILYL)ETHYL]PYRIDINE molecular structure lightbox
CAS RN: 17082-69-8

2-[2-(TRICHLOROSILYL)ETHYL]PYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17082-69-8
  • Purity/Analytical Methods: >99.0%
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17082-69-8 / trichloro(2-pyridin-2-ylethyl)silane

Standard CAS: 17082-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17082-69-8
Multi CAS
No
Molecular Formula
C7H8Cl3NSi
Molecular Weight
240.600000
Exact Mass
238.949159
SMILES
C1=CC=NC(=C1)CC[Si](Cl)(Cl)Cl
InChI
InChI=1S/C7H8Cl3NSi/c8-12(9,10)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2
InChIKey
GNXIZLXABHCZPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
56.06
TPSA
12.89

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.28
Consensus LogP
3.15
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.86

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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