CAS RN: 918542-03-7
4-Fluoro-3-(tributylstannyl)pyridine
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS918542-03-7
- Purity/Analytical Methods: >99.0%
918542-03-7 / tributyl-(4-fluoro-3-pyridinyl)stannane
Basic Information
CAS
918542-03-7
Multi CAS
Yes
Molecular Formula
C17FH30N2S
Molecular Weight
386.100000
Exact Mass
387.138431
InChI
InChI=1S/C5H3FN.3C4H9.Sn/c6-5-1-3-7-4-2-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
ANESXSMTSMSYEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
88.73
TPSA
12.89
LogP / Solubility
WLOGP
5.28
MLOGP
4.67
XLogP3
5.28
Consensus LogP
5.08
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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