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CAS 202921-55-9 Butanamide, 2-fluoro-N,N-dimethyl-3-oxo- (9CI) molecular structure lightbox
CAS RN: 202921-55-9

Butanamide, 2-fluoro-N,N-dimethyl-3-oxo- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS202921-55-9
  • Purity/Analytical Methods: >99.0%
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202921-55-9 / 2-fluoro-N,N-dimethyl-3-oxobutanamide

Standard CAS: 202921-55-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202921-55-9
Multi CAS
No
Molecular Formula
C6H10FNO2
Molecular Weight
147.150000
Exact Mass
147.069557
SMILES
CC(=O)C(C(=O)N(C)C)F
InChI
InChI=1S/C6H10FNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3
InChIKey
OBBPTJNDUMTIOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
34.27
TPSA
37.38

LogP / Solubility

XLogP3
0.1
Consensus LogP
0.03
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.62

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
2

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