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CAS 1204580-74-4 5-Methoxy-3-(tributylstannyl)pyridine molecular structure lightbox
CAS RN: 1204580-74-4

5-Methoxy-3-(tributylstannyl)pyridine

  • Product code: SSC-021459
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1204580-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

1204580-74-4 / tributyl-(5-methoxy-3-pyridinyl)stannane

5-Methoxy-3-(tributylstannyl)pyridine | 3-methoxy-5-(tributylstannyl)pyridine | tributyl-(5-methoxypyridin-3-yl)stannane

Standard CAS: 1204580-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204580-74-4
Multi CAS
Yes
Molecular Formula
C18H33NOSn
Molecular Weight
398.200000
Exact Mass
399.158417
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=CC(=C1)OC
InChI
InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-3-2-4-7-5-6;3*1-3-4-2;/h3-5H,1H3;3*1,3-4H2,2H3;
InChIKey
HLVKQYWOEUQEKJ-UHFFFAOYSA-N
Synonyms
5-Methoxy-3-(tributylstannyl)pyridine 3-methoxy-5-(tributylstannyl)pyridine tributyl-(5-methoxypyridin-3-yl)stannane MFCD10699160 SCHEMBL12502665

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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