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CAS 1025745-87-2 2-FLUORO-5-METHYL-3-(TRIBUTYLSTANNYL)PYRIDINE molecular structure lightbox
CAS RN: 1025745-87-2

2-FLUORO-5-METHYL-3-(TRIBUTYLSTANNYL)PYRIDINE

  • Product code: SSC-003847
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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 1025745-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1025745-87-2 / tributyl-(2-fluoro-5-methyl-3-pyridinyl)stannane

2-Fluoro-5-methyl-3-(tributylstannyl)pyridine | tributyl-(2-fluoro-5-methylpyridin-3-yl)stannane | Pyridine, 2-fluoro-5-methyl-3-(tributylstannyl)-

Standard CAS: 1025745-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025745-87-2
Multi CAS
Yes
Molecular Formula
C18H32FNSn
Molecular Weight
400.200000
Exact Mass
401.154081
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N=CC(=C1)C)F
InChI
InChI=1S/C6H5FN.3C4H9.Sn/c1-5-2-3-6(7)8-4-5;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKey
MLHSJTGMZLOEIW-UHFFFAOYSA-N
Synonyms
2-Fluoro-5-methyl-3-(tributylstannyl)pyridine tributyl-(2-fluoro-5-methylpyridin-3-yl)stannane Pyridine, 2-fluoro-5-methyl-3-(tributylstannyl)- SCHEMBL1851761 DTXSID80586034

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
93.47
TPSA
12.89

LogP / Solubility

WLOGP
5.59
MLOGP
4.94
XLogP3
5.59
Consensus LogP
5.37
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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