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CAS 13356-08-6 Fenbutatin oxide, 100μg/mL, U(%)=2 in benzene molecular structure lightbox
CAS RN: 13356-08-6

Fenbutatin oxide, 100μg/mL, U(%)=2 in benzene

  • Product code: SSC-040413
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13356-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

13356-08-6 / tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane

Standard CAS: 13356-08-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13356-08-6
Multi CAS
No
Molecular Formula
C60H78OSn2
Molecular Weight
1052.700000
Exact Mass
1052.409080
SMILES
CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
InChIKey
HOXINJBQVZWYGZ-UHFFFAOYSA-N

Physical Properties

Melting Point
138-139 °C 138 °C
Boiling Point
235-240 °C @ 0.05 mm
Density
0.42 g/cu cm
Physical Description
Fenbutatin oxide is a white crystalline solid with a mild odor. White solid; [Merck Index] Solid
Appearance
White crytalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
36
Fraction Csp3
0.4
Rotatable bonds
20
H-bond acceptors
1
Molar refractivity
278.24
TPSA
9.23

LogP / Solubility

WLOGP
16.76
MLOGP
14.85
XLogP3
16.76
Consensus LogP
16.12
Log S (ESOL)
-16.03
Class (ESOL)
Insoluble
Log S (Ali)
-20.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330: Fatal if inhaled [Danger Acute toxicity, inhalation] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P271, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P260, P264, P264+P265, P270, P271, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P318, P320, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P308+P316, P321, P332+P317, P337+P317, P362+P364, P405, and P501
DOT ID (UN/NA Number)
2787 3019

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