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CAS 105494-69-7 1-Methyl-2-(tributylstannyl)-1H-imidazole molecular structure lightbox
CAS RN: 105494-69-7

1-Methyl-2-(tributylstannyl)-1H-imidazole

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250203 100mg Out of stock Inquiry
Batchno.20251112 1g Out of stock Inquiry
Batchno.20250829 250mg Out of stock Inquiry
Batchno.20260130 50mg Out of stock Inquiry
  • Product code: SSC-007208
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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 105494-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

105494-69-7 / tributyl-(1-methylimidazol-2-yl)stannane

1-Methyl-2-(tributylstannyl)-1H-imidazole | DTXSID10376844 | 1-METHYL-2-(TRI-N-BUTYLSTANNYL)IMIDAZOLE

Standard CAS: 105494-69-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105494-69-7
Multi CAS
Yes
Molecular Formula
C16H32N2Sn
Molecular Weight
371.100000
Exact Mass
372.158752
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC=CN1C
InChI
InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
KFWFYOPKNSYTMV-UHFFFAOYSA-N
Synonyms
1-Methyl-2-(tributylstannyl)-1H-imidazole DTXSID10376844 1-METHYL-2-(TRI-N-BUTYLSTANNYL)IMIDAZOLE RefChem:434021 DTXCID70327872

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
87.74
TPSA
17.82

LogP / Solubility

WLOGP
4.48
MLOGP
3.96
XLogP3
4.48
Consensus LogP
4.31
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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] H302 (16.7%): Harmful if swallowed [Warning 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]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

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