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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1204580-81-3 / tributyl-(4-methyl-3-pyridinyl)stannane
4-Methyl-3-(tributylstannyl)pyridine | tributyl-(4-methylpyridin-3-yl)stannane | MFCD11707000
Basic Information
CAS
1204580-81-3
Multi CAS
Yes
Molecular Formula
C18H33NSn
Molecular Weight
382.200000
Exact Mass
383.163503
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(C=CN=C1)C
InChI
InChI=1S/C6H6N.3C4H9.Sn/c1-6-2-4-7-5-3-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey
YSTITYJVFYFDAW-UHFFFAOYSA-N
Synonyms
4-Methyl-3-(tributylstannyl)pyridine
tributyl-(4-methylpyridin-3-yl)stannane
MFCD11707000
DTXSID20656826
EYB58081
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
93.51
TPSA
12.89
LogP / Solubility
WLOGP
5.45
MLOGP
4.81
XLogP3
5.45
Consensus LogP
5.24
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1204591-53-6 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204591-53-6.gif)