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CAS 231278-14-1 2-FORMYL-4-(TRIBUTYLSTANNYL)THIAZOLE molecular structure lightbox
CAS RN: 231278-14-1

2-FORMYL-4-(TRIBUTYLSTANNYL)THIAZOLE

  • Product code: SSC-112616
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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 231278-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

231278-14-1 / 4-tributylstannyl-1,3-thiazole-2-carbaldehyde

Standard CAS: 231278-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
231278-14-1
Multi CAS
No
Molecular Formula
C16H29NOSSn
Molecular Weight
402.200000
Exact Mass
403.099188
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)C=O
InChI
InChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;
InChIKey
SWNXZUKRZWHDGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
3
Molar refractivity
92.03
TPSA
29.96

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
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)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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