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CAS 1184-61-8 TIN (IV) ISOPROPOXIDE molecular structure lightbox
CAS RN: 1184-61-8

TIN (IV) ISOPROPOXIDE

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  • Product code: starshine_CAS1184-61-8
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1184-61-8 / tetrakis(propan-2-olate);tin(4+)

Tin(IV) isopropoxide | tin isopropoxide | SCHEMBL146706

Standard CAS: 1184-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1184-61-8
Multi CAS
Yes
Molecular Formula
C12H28O4Sn
Molecular Weight
355.060000
Exact Mass
356.100962
SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sn+4]
InChI
InChI=1S/4C3H7O.Sn/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKey
CCTFOFUMSKSGRK-UHFFFAOYSA-N
Synonyms
Tin(IV) isopropoxide tin isopropoxide SCHEMBL146706 tetra(propan-2-yloxy)stannane

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
66.3
TPSA
92.24

LogP / Solubility

WLOGP
-1.36
MLOGP
-1.18
XLogP3
-1.36
Consensus LogP
-1.3
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.85

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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