CAS RN: 57584-69-7
5-Fluoro-2-indanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57584-69-7
- Purity/Analytical Methods: >99.0%
57584-69-7 / 5-fluoro-1,3-dihydroinden-2-one
Basic Information
CAS
57584-69-7
Multi CAS
No
Molecular Formula
C9FH7O
Molecular Weight
150.150000
Exact Mass
150.048093
InChI
InChI=1S/C9H7FO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
InChIKey
OFVNPOZRBPSFSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
38.82
TPSA
17.07
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.58
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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