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CAS 332133-93-4 3-Tributylstannanyl-pyridazine molecular structure lightbox
CAS RN: 332133-93-4

3-Tributylstannanyl-pyridazine

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  • Product code: starshine_CAS332133-93-4
  • Purity/Analytical Methods: >99.0%
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332133-93-4 / tributyl(pyridazin-3-yl)stannane

Standard CAS: 332133-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
332133-93-4
Multi CAS
No
Molecular Formula
C16H30N3S
Molecular Weight
369.100000
Exact Mass
370.143102
InChI
InChI=1S/C4H3N2.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey
DBHSVKZZSWTSTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
86.57
TPSA
25.78

LogP / Solubility

WLOGP
4.53
MLOGP
4.01
XLogP3
4.53
Consensus LogP
4.36
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.02
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)
-1.75

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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