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CAS 3542-36-7 DI-N-OCTYLTIN DICHLORIDE molecular structure lightbox
CAS RN: 3542-36-7

DI-N-OCTYLTIN DICHLORIDE

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Batchno.20250703 100g Out of stock Inquiry
  • Product code: starshine_CAS3542-36-7
  • Purity/Analytical Methods: >99.0%
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3542-36-7 / dichloro(dioctyl)stannane

Standard CAS: 3542-36-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3542-36-7
Multi CAS
Yes
Molecular Formula
C16H34CL2SN
Molecular Weight
416.100000
Exact Mass
416.105959
InChI
InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2
InChIKey
SBOSGIJGEHWBKV-UHFFFAOYSA-L

Physical Properties

Physical Description
Liquid, Other Solid White solid; [OECD SIDS] Crystalline solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
93.83
TPSA
0.0000

LogP / Solubility

WLOGP
7.63
MLOGP
6.74
XLogP3
7.63
Consensus LogP
7.33
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.37
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)
0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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