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CAS 1571145-57-7 5-methyl-2-(tributylstannyl)-1,3-oxazole molecular structure lightbox
CAS RN: 1571145-57-7

5-methyl-2-(tributylstannyl)-1,3-oxazole

  • Product code: SSC-066265
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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: 0.25g
  • 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 1571145-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1571145-57-7 / tributyl-(5-methyl-1,3-oxazol-2-yl)stannane

Standard CAS: 1571145-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1571145-57-7
Multi CAS
No
Molecular Formula
C16H31NOSn
Molecular Weight
372.100000
Exact Mass
373.142767
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC=C(O1)C
InChI
InChI=1S/C4H4NO.3C4H9.Sn/c1-4-2-5-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
UIYGJGQTZRONNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
85.77
TPSA
26.03

LogP / Solubility

WLOGP
5.04
MLOGP
4.46
XLogP3
5.04
Consensus LogP
4.85
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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