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CAS 105494-65-3 TRI-N-BUTYL(1-PROPENYL)TIN molecular structure lightbox
CAS RN: 105494-65-3

TRI-N-BUTYL(1-PROPENYL)TIN

  • Product code: SSC-007207
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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: 5g
  • 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 105494-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

105494-65-3 / tributyl-[(E)-prop-1-enyl]stannane

Tri-n-butyl(1-propenyl)tin, cis + trans | RefChem:888960 | Stannane, tributyl-(1Z)-1-propen-1-yl-

Standard CAS: 105494-65-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105494-65-3
Multi CAS
Yes
Molecular Formula
C15H32Sn
Molecular Weight
331.120000
Exact Mass
332.152604
SMILES
CCCC[Sn](CCCC)(CCCC)/C=C/C
InChI
InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1,3H,2H3;
InChIKey
FJXYMVBFBYAWDR-UHFFFAOYSA-N
Synonyms
Tri-n-butyl(1-propenyl)tin, cis + trans RefChem:888960 Stannane, tributyl-(1Z)-1-propen-1-yl- 677-902-1 677-906-3

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.87
Rotatable bonds
10
Molar refractivity
79.71
TPSA
0.0000

LogP / Solubility

WLOGP
5.95
MLOGP
5.25
XLogP3
5.95
Consensus LogP
5.72
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
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
No
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (20%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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