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CAS 206115-67-5 5-Chloro-3-(tributylstannyl)pyridine molecular structure lightbox
CAS RN: 206115-67-5

5-Chloro-3-(tributylstannyl)pyridine

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
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Batchno.20250429 1g Out of stock Inquiry
Batchno.20250519 250mg Out of stock Inquiry
  • Product code: starshine_CAS206115-67-5
  • Purity/Analytical Methods: >99.0%
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206115-67-5 / tributyl-(5-chloro-3-pyridinyl)stannane

Standard CAS: 206115-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206115-67-5
Multi CAS
No
Molecular Formula
C17H30ClNSn
Molecular Weight
402.600000
Exact Mass
403.108880
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=CC(=C1)Cl
InChI
InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h2-4H;3*1,3-4H2,2H3;
InChIKey
GGSUJOOLZJBTEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
93.78
TPSA
12.89

LogP / Solubility

WLOGP
5.79
MLOGP
5.12
XLogP3
5.79
Consensus LogP
5.57
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

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

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