Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1210824-58-0 / 4-fluoro-1,3-dihydroinden-2-one
4-Fluoro-1H-inden-2(3H)-one | 4-FLUORO-2-INDANONE | 4-fluoro-1,3-dihydroinden-2-one
Basic Information
CAS
1210824-58-0
Multi CAS
No
Molecular Formula
C9H7FO
Molecular Weight
150.150000
Exact Mass
150.048093
SMILES
C1C(=O)CC2=C1C=CC=C2F
InChI
InChI=1S/C9H7FO/c10-9-3-1-2-6-4-7(11)5-8(6)9/h1-3H,4-5H2
InChIKey
IPUBNRHGOGIMCZ-UHFFFAOYSA-N
Synonyms
4-Fluoro-1H-inden-2(3H)-one
4-FLUORO-2-INDANONE
4-fluoro-1,3-dihydroinden-2-one
MFCD09744093
4-Fluoro-1,3-dihydro-2H-inden-2-one
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
