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CAS 883546-72-3 2-CHLORO-1-(6-FLUORO-1H-INDOL-3-YL)-ETHANONE molecular structure lightbox
CAS RN: 883546-72-3

2-CHLORO-1-(6-FLUORO-1H-INDOL-3-YL)-ETHANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS883546-72-3
  • Purity/Analytical Methods: >99.0%
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883546-72-3 / 2-chloro-1-(6-fluoro-1H-indol-3-yl)ethanone

Standard CAS: 883546-72-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883546-72-3
Multi CAS
No
Molecular Formula
C10H7CLFNO
Molecular Weight
211.620000
Exact Mass
211.020020
InChI
InChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-3-6(12)1-2-7(8)9/h1-3,5,13H,4H2
InChIKey
DORWTPUKOURUQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.31
TPSA
32.86

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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