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CAS 1094072-15-7 3-Methoxy-2-(tributylstannyl)pyridine molecular structure lightbox
CAS RN: 1094072-15-7

3-Methoxy-2-(tributylstannyl)pyridine

  • Product code: SSC-010702
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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 1094072-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1094072-15-7 / tributyl-(3-methoxy-2-pyridinyl)stannane

3-Methoxy-2-(tributylstannyl)pyridine | tributyl-(3-methoxypyridin-2-yl)stannane | MFCD10699159

Standard CAS: 1094072-15-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1094072-15-7
Multi CAS
Yes
Molecular Formula
C18H33NOSn
Molecular Weight
398.200000
Exact Mass
399.158417
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(C=CC=N1)OC
InChI
InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-3-2-4-7-5-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKey
CQLCSQRUZHMOIB-UHFFFAOYSA-N
Synonyms
3-Methoxy-2-(tributylstannyl)pyridine tributyl-(3-methoxypyridin-2-yl)stannane MFCD10699159 Pyridine, 3-methoxy-2-(tributylstannyl)- SCHEMBL522495

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
95.32
TPSA
22.12

LogP / Solubility

WLOGP
5.15
MLOGP
4.55
XLogP3
5.15
Consensus LogP
4.95
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
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)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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