CAS RN: 1672665-29-0
4-FLUORO-7-(METHYLSULFONYL)-2,3-DIHYDRO-1H-INDEN-1-ONE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-072948
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 |
1672665-29-0 / 4-fluoro-7-methylsulfonyl-2,3-dihydroinden-1-one
Basic Information
CAS
1672665-29-0
Multi CAS
No
Molecular Formula
C10H9FO3S
Molecular Weight
228.240000
Exact Mass
228.025643
SMILES
CS(=O)(=O)C1=C2C(=C(C=C1)F)CCC2=O
InChI
InChI=1S/C10H9FO3S/c1-15(13,14)9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
InChIKey
MXSXOWBXGXOAMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.16
TPSA
51.21
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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