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CAS 19140-19-3 DI-T-BUTYLTIN OXIDE molecular structure lightbox
CAS RN: 19140-19-3

DI-T-BUTYLTIN OXIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19140-19-3
  • Purity/Analytical Methods: >99.0%
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19140-19-3 / ditert-butyl(oxo)tin

Standard CAS: 19140-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19140-19-3
Multi CAS
No
Molecular Formula
C8H18OSn
Molecular Weight
248.940000
Exact Mass
250.037968
SMILES
CC(C)(C)[Sn](=O)C(C)(C)C
InChI
InChI=1S/2C4H9.O.Sn/c2*1-4(2)3;;/h2*1-3H3;;
InChIKey
IBMHNNOARAEXIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.87
TPSA
17.07

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

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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