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CAS 1046498-44-5 5-(Tributylstannyl)thiazole-2-carbaldehyde molecular structure lightbox
CAS RN: 1046498-44-5

5-(Tributylstannyl)thiazole-2-carbaldehyde

  • Product code: SSC-006407
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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: 0.1g, 0.25g, 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 1046498-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1046498-44-5 / 5-tributylstannyl-1,3-thiazole-2-carbaldehyde

5-(Tributylstannyl)thiazole-2-carbaldehyde | MFCD16170449 | 5-tributylstannyl-1,3-thiazole-2-carbaldehyde

Standard CAS: 1046498-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1046498-44-5
Multi CAS
Yes
Molecular Formula
C16H29NOSSn
Molecular Weight
402.200000
Exact Mass
403.099188
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)C=O
InChI
InChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKey
PRZCOGNDYJLLBS-UHFFFAOYSA-N
Synonyms
5-(Tributylstannyl)thiazole-2-carbaldehyde MFCD16170449 5-tributylstannyl-1,3-thiazole-2-carbaldehyde SCHEMBL4741145 AKOS015842980

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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