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CAS 33656-63-2 Ethyl 2-oxo-2-(thiazol-2-yl)acetate molecular structure lightbox
CAS RN: 33656-63-2

Ethyl 2-oxo-2-(thiazol-2-yl)acetate

  • Product code: SSC-139807
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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 33656-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

33656-63-2 / ethyl 2-oxo-2-(1,3-thiazol-2-yl)acetate

Standard CAS: 33656-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33656-63-2
Multi CAS
No
Molecular Formula
C7H7NO3S
Molecular Weight
185.200000
Exact Mass
185.014664
InChI
InChI=1S/C7H7NO3S/c1-2-11-7(10)5(9)6-8-3-4-12-6/h3-4H,2H2,1H3
InChIKey
BCUHSFBUCDQHII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
43.08
TPSA
56.26

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1.4
Consensus LogP
1.02
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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