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CAS 2179-92-2 TRI-N-BUTYLCYANOTIN molecular structure lightbox
CAS RN: 2179-92-2

TRI-N-BUTYLCYANOTIN

  • Product code: SSC-105149
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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: 5g
  • 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 2179-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

2179-92-2 / tributylstannylformonitrile

Standard CAS: 2179-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2179-92-2
Multi CAS
No
Molecular Formula
C13H27NSn
Molecular Weight
316.070000
Exact Mass
317.116552
SMILES
CCCC[Sn](CCCC)(CCCC)C#N
InChI
InChI=1S/3C4H9.CN.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;;
InChIKey
GMYAQHAKWKXYHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
70.51
TPSA
23.79

LogP / Solubility

WLOGP
4.9
MLOGP
4.32
XLogP3
4.9
Consensus LogP
4.71
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
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
No
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

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

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