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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
66680-86-2 / tributyl(2-methylprop-1-enyl)stannane
Basic Information
CAS
66680-86-2
Multi CAS
Yes
Molecular Formula
C16H34NS
Molecular Weight
345.200000
Exact Mass
346.168254
InChI
InChI=1S/C4H7.3C4H9.Sn/c1-4(2)3;3*1-3-4-2;/h1H,2-3H3;3*1,3-4H2,2H3;
InChIKey
LWNCDBSQZPDFOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
10
Molar refractivity
84.33
TPSA
0.0000
LogP / Solubility
WLOGP
6.34
MLOGP
5.6
XLogP3
6.34
Consensus LogP
6.09
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
