CAS RN: 292057-71-7

2-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-N-(4-FLUOROPHENYL)ACETAMIDE

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Batchno.20250928 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS292057-71-7
  • Purity/Analytical Methods: >99.0%
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292057-71-7 / 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

Standard CAS: 292057-71-7 Multi CAS: No

Basic Information

CAS
292057-71-7
Multi CAS
No
Molecular Formula
C10FH9N4OS2
Molecular Weight
284.300000
Exact Mass
284.020181
InChI
InChI=1S/C10H9FN4OS2/c11-6-1-3-7(4-2-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16)
InChIKey
GQTAEOVGIVHVTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.08
TPSA
80.9

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

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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