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CAS 1416437-24-5 3-(Tributylstannyl)-2-pyridinecarbonitrile molecular structure lightbox
CAS RN: 1416437-24-5

3-(Tributylstannyl)-2-pyridinecarbonitrile

  • Product code: SSC-052094
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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 1416437-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1416437-24-5 / 3-tributylstannylpyridine-2-carbonitrile

Standard CAS: 1416437-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416437-24-5
Multi CAS
No
Molecular Formula
C18H30N2Sn
Molecular Weight
393.200000
Exact Mass
394.143102
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N=CC=C1)C#N
InChI
InChI=1S/C6H3N2.3C4H9.Sn/c7-5-6-3-1-2-4-8-6;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKey
FKMDONAGHOEWRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
93.49
TPSA
36.68

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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