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CAS 769124-05-2 4-Thiazolecarboxylicacid,2-ethyl-(9CI) molecular structure lightbox
CAS RN: 769124-05-2

4-Thiazolecarboxylicacid,2-ethyl-(9CI)

  • Product code: SSC-186354
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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: 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 769124-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

769124-05-2 / 2-ethyl-1,3-thiazole-4-carboxylic acid

Standard CAS: 769124-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
769124-05-2
Multi CAS
No
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
InChI
InChI=1S/C6H7NO2S/c1-2-5-7-4(3-10-5)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
NMBMFJUWTJAVBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.45
TPSA
50.19

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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