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CAS 1528-01-4 TRI-N-BUTYLMETHYLTIN molecular structure lightbox
CAS RN: 1528-01-4

TRI-N-BUTYLMETHYLTIN

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Batchno.20260122 100mg Out of stock Inquiry
  • Product code: starshine_CAS1528-01-4
  • Purity/Analytical Methods: >99.0%
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1528-01-4 / tributyl(methyl)stannane

Standard CAS: 1528-01-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1528-01-4
Multi CAS
No
Molecular Formula
C13H30Sn
Molecular Weight
305.090000
Exact Mass
306.136954
SMILES
CCCC[Sn](C)(CCCC)CCCC
InChI
InChI=1S/3C4H9.CH3.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H3;
InChIKey
WMSCYGTVHFMKNS-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear to straw-colored liquid with a mild odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
Molar refractivity
70.76
TPSA
0.0000

LogP / Solubility

WLOGP
5.47
MLOGP
4.82
XLogP3
5.47
Consensus LogP
5.25
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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
No
Log Kp (skin permeation)
-0.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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