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 |
611168-46-8 / (5-bromo-2-pyridinyl)-tributylstannane
Basic Information
CAS
611168-46-8
Multi CAS
Yes
Molecular Formula
BC17H30NRnS
Molecular Weight
447.000000
Exact Mass
447.058370
InChI
InChI=1S/C5H3BrN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKey
ZQJRPQMEYHJPJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
96.47
TPSA
12.89
LogP / Solubility
WLOGP
5.9
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.67
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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