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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
166114-72-3 / tributyl(quinolin-3-yl)stannane
Basic Information
CAS
166114-72-3
Multi CAS
No
Molecular Formula
C21H33NSn
Molecular Weight
418.200000
Exact Mass
419.163503
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C9H6N.3C4H9.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-3-4-2;/h1-2,4-7H;3*1,3-4H2,2H3;
InChIKey
GRCFGVMZXVNIFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
106.28
TPSA
12.89
LogP / Solubility
WLOGP
6.29
MLOGP
5.56
XLogP3
6.29
Consensus LogP
6.05
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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