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CAS 2781-10-4 DI-N-BUTYLTIN BIS(2-ETHYLHEXANOATE) molecular structure lightbox
CAS RN: 2781-10-4

DI-N-BUTYLTIN BIS(2-ETHYLHEXANOATE)

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250626 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250319 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS2781-10-4
  • Purity/Analytical Methods: >99.0%
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2781-10-4 / [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate

Standard CAS: 2781-10-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2781-10-4
Multi CAS
No
Molecular Formula
C24H48O4Sn
Molecular Weight
519.300000
Exact Mass
520.257463
SMILES
CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
GPDWNEFHGANACG-UHFFFAOYSA-L

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.92
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
123.98
TPSA
52.6

LogP / Solubility

WLOGP
7.55
MLOGP
6.68
XLogP3
7.55
Consensus LogP
7.26
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.46
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)
-0.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5

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