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CAS 842115-87-1 ethyl 2-(2-fluorophenyl)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 842115-87-1

ethyl 2-(2-fluorophenyl)thiazole-4-carboxylate

  • Product code: SSC-191770
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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 842115-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

842115-87-1 / ethyl 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylate

Standard CAS: 842115-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
842115-87-1
Multi CAS
No
Molecular Formula
C12FH10NO2S
Molecular Weight
251.280000
Exact Mass
251.041628
InChI
InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKey
AMNMXIMEGAQNCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.46
TPSA
39.19

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

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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