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CAS 1245816-16-3 2-(4-(Tributylstannyl)thiazol-2-yl)propan-2-ol molecular structure lightbox
CAS RN: 1245816-16-3

2-(4-(Tributylstannyl)thiazol-2-yl)propan-2-ol

  • Product code: SSC-028551
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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 1245816-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1245816-16-3 / 2-(4-tributylstannyl-1,3-thiazol-2-yl)propan-2-ol

Standard CAS: 1245816-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245816-16-3
Multi CAS
No
Molecular Formula
C18H35NOSSn
Molecular Weight
432.300000
Exact Mass
433.146138
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)C(C)(C)O
InChI
InChI=1S/C6H8NOS.3C4H9.Sn/c1-6(2,8)5-7-3-4-9-5;3*1-3-4-2;/h4,8H,1-2H3;3*1,3-4H2,2H3;
InChIKey
WJUIBBUNTDEGNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.83
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.89
TPSA
33.12

LogP / Solubility

WLOGP
5.43
MLOGP
4.8
XLogP3
5.43
Consensus LogP
5.22
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
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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