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CAS 1204580-76-6 5-Tributylstannyl-2-trifluoromethylpyridine molecular structure lightbox
CAS RN: 1204580-76-6

5-Tributylstannyl-2-trifluoromethylpyridine

  • Product code: SSC-021461
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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 1204580-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1204580-76-6 / tributyl-[6-(trifluoromethyl)-3-pyridinyl]stannane

5-Tributylstannyl-2-trifluoromethylpyridine | 5-(tributylstannyl)-2-(trifluoromethyl)pyridine | tributyl-[6-(trifluoromethyl)pyridin-3-yl]stannane

Standard CAS: 1204580-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204580-76-6
Multi CAS
Yes
Molecular Formula
C18H30F3NSn
Molecular Weight
436.100000
Exact Mass
437.135237
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-3-1-2-4-10-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
YHSXJEYVXPPZAC-UHFFFAOYSA-N
Synonyms
5-Tributylstannyl-2-trifluoromethylpyridine 5-(tributylstannyl)-2-(trifluoromethyl)pyridine tributyl-[6-(trifluoromethyl)pyridin-3-yl]stannane MFCD11109387 C18H30F3NSn

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
93.77
TPSA
12.89

LogP / Solubility

WLOGP
6.16
MLOGP
5.45
XLogP3
6.16
Consensus LogP
5.92
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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)
-1.01

Drug-likeness / Medicinal Chemistry

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

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