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CAS 52031-15-9 5-FLUORO-1H-INDENE molecular structure lightbox
CAS RN: 52031-15-9

5-FLUORO-1H-INDENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52031-15-9
  • Purity/Analytical Methods: >99.0%
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52031-15-9 / 5-fluoro-1H-indene

Standard CAS: 52031-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52031-15-9
Multi CAS
No
Molecular Formula
C9FH7
Molecular Weight
134.150000
Exact Mass
134.053178
InChI
InChI=1S/C9H7F/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKey
DUAUUKDYIHSGFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
39.14
TPSA
0.0000

LogP / Solubility

WLOGP
2.4
MLOGP
2.1
XLogP3
3
Consensus LogP
2.5
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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