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CAS 206115-40-4 3-(tributylstannyl)-4-chloropyridine molecular structure lightbox
CAS RN: 206115-40-4

3-(tributylstannyl)-4-chloropyridine

  • Product code: SSC-097184
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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: ≥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 206115-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

206115-40-4 / tributyl-(4-chloro-3-pyridinyl)stannane

Standard CAS: 206115-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206115-40-4
Multi CAS
No
Molecular Formula
C17H30ClNSn
Molecular Weight
402.600000
Exact Mass
403.108880
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(C=CN=C1)Cl
InChI
InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-1-3-7-4-2-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
ZUDFMNMRJSTEJR-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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