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CAS 56355-79-4 Ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate molecular structure lightbox
CAS RN: 56355-79-4

Ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate

  • Product code: SSC-164329
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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, 5g
  • 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 56355-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

56355-79-4 / ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate

Standard CAS: 56355-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56355-79-4
Multi CAS
No
Molecular Formula
BC7H8O2RnS
Molecular Weight
250.120000
Exact Mass
248.945910
InChI
InChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
InChIKey
DHFZEWZLCNRIRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.15
TPSA
39.19

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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