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CAS 854035-88-4 N-(2,4-DIFLUOROPHENYL)-N-(4-FORMYL-1,3-THIAZOL-2-YL)ACETAMIDE molecular structure lightbox
CAS RN: 854035-88-4

N-(2,4-DIFLUOROPHENYL)-N-(4-FORMYL-1,3-THIAZOL-2-YL)ACETAMIDE

  • Product code: SSC-193763
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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: 0.25g
  • 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 854035-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

854035-88-4 / N-(2,4-difluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide

Standard CAS: 854035-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854035-88-4
Multi CAS
No
Molecular Formula
C12F2H8N2O2S
Molecular Weight
282.270000
Exact Mass
282.027455
InChI
InChI=1S/C12H8F2N2O2S/c1-7(18)16(12-15-9(5-17)6-19-12)11-3-2-8(13)4-10(11)14/h2-6H,1H3
InChIKey
WUQXVAWNJXGXDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
66.68
TPSA
50.27

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.2
Consensus LogP
2.57
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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