CAS RN: 1260012-83-6
6-broMo-7-fluoro-2,3-dihydro-1H-inden-1-one
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.20250718 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260012-83-6
- Purity/Analytical Methods: >99.0%
1260012-83-6 / 6-bromo-7-fluoro-2,3-dihydroinden-1-one
Basic Information
CAS
1260012-83-6
Multi CAS
No
Molecular Formula
C9H6BrFO
Molecular Weight
229.050000
Exact Mass
227.958610
SMILES
C1CC(=O)C2=C1C=CC(=C2F)Br
InChI
InChI=1S/C9H6BrFO/c10-6-3-1-5-2-4-7(12)8(5)9(6)11/h1,3H,2,4H2
InChIKey
BIMMJVIETAHQMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
46.75
TPSA
17.07
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-2.19
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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