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CAS 3091-32-5 Tricyclohexyltin chloride molecular structure lightbox
CAS RN: 3091-32-5

Tricyclohexyltin chloride

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Batchno.20250504 50mg Out of stock Inquiry
  • Product code: LINT819737
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3091-32-5 / chloro(tricyclohexyl)stannane

Standard CAS: 3091-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3091-32-5
Multi CAS
Yes
Molecular Formula
C18H33CLSN
Molecular Weight
403.600000
Exact Mass
404.129281
InChI
InChI=1S/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
InChIKey
OJVZYIKTLISAIH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
92.11
TPSA
0.0000

LogP / Solubility

WLOGP
7.17
MLOGP
6.34
XLogP3
7.17
Consensus LogP
6.89
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
-0.09

Drug-likeness / Medicinal Chemistry

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

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