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CAS 194476-43-2 1-(7-amino-5-fluoro-indolin-1-yl)ethanone molecular structure lightbox
CAS RN: 194476-43-2

1-(7-amino-5-fluoro-indolin-1-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS194476-43-2
  • Purity/Analytical Methods: >99.0%
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194476-43-2 / 1-(7-amino-5-fluoro-2,3-dihydroindol-1-yl)ethanone

Standard CAS: 194476-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194476-43-2
Multi CAS
No
Molecular Formula
C10H11FN2O
Molecular Weight
194.210000
Exact Mass
194.085541
SMILES
CC(=O)N1CCC2=C1C(=CC(=C2)F)N
InChI
InChI=1S/C10H11FN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3
InChIKey
MFBGFJSMSUZTBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.54
TPSA
46.33

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
0.7
Consensus LogP
1.06
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
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)
-2.97

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
1.5

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