CAS RN: 828267-45-4
4-Fluoro-7-Methyl-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.20250110 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS828267-45-4
- Purity/Analytical Methods: >99.0%
828267-45-4 / 4-fluoro-7-methyl-2,3-dihydroinden-1-one
Basic Information
CAS
828267-45-4
Multi CAS
No
Molecular Formula
C10FH9O
Molecular Weight
164.180000
Exact Mass
164.063743
InChI
InChI=1S/C10H9FO/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4H,3,5H2,1H3
InChIKey
YXJUVTOVTUCHSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
43.79
TPSA
17.07
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.11
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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