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CAS 1204580-75-5 4-Fluoro-3,5-bis(tributylstannyl)pyridine molecular structure lightbox
CAS RN: 1204580-75-5

4-Fluoro-3,5-bis(tributylstannyl)pyridine

  • Product code: SSC-021460
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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 1204580-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1204580-75-5 / tributyl-(4-fluoro-5-tributylstannyl-3-pyridinyl)stannane

4-Fluoro-3,5-bis(tributylstannyl)pyridine | tributyl-(4-fluoro-5-tributylstannylpyridin-3-yl)stannane | DTXSID80656786

Standard CAS: 1204580-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204580-75-5
Multi CAS
Yes
Molecular Formula
C29H56FNSn2
Molecular Weight
675.200000
Exact Mass
675.243490
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=CC(=C1F)[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C5H2FN.6C4H9.2Sn/c6-5-1-3-7-4-2-5;6*1-3-4-2;;/h3-4H;6*1,3-4H2,2H3;;
InChIKey
BULNDTVEVKSTDB-UHFFFAOYSA-N
Synonyms
4-Fluoro-3,5-bis(tributylstannyl)pyridine tributyl-(4-fluoro-5-tributylstannylpyridin-3-yl)stannane DTXSID80656786 AKOS015843016 FF86779

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.83
Rotatable bonds
20
H-bond acceptors
1
Molar refractivity
153.26
TPSA
12.89

LogP / Solubility

WLOGP
9.33
MLOGP
8.27
XLogP3
9.33
Consensus LogP
8.98
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.2
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)
-0.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5

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