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CAS 24313-53-9 2,7-difluorofluoren-9-one molecular structure lightbox
CAS RN: 24313-53-9

2,7-difluorofluoren-9-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24313-53-9
  • Purity/Analytical Methods: >99.0%
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24313-53-9 / 2,7-difluorofluoren-9-one

Standard CAS: 24313-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24313-53-9
Multi CAS
No
Molecular Formula
C13H6F2O
Molecular Weight
216.180000
Exact Mass
216.038671
SMILES
C1=CC2=C(C=C1F)C(=O)C3=C2C=CC(=C3)F
InChI
InChI=1S/C13H6F2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
VEOGWHFDYPRACH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
1
Molar refractivity
55.23
TPSA
17.07

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.78

Drug-likeness / Medicinal Chemistry

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

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