CAS RN: 1273655-84-7
6-Bromo-4-trifluoromethyl-indan-1-one
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-034928
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 | Beijing | Inquiry |
1273655-84-7 / 6-bromo-4-(trifluoromethyl)-2,3-dihydroinden-1-one
Basic Information
CAS
1273655-84-7
Multi CAS
No
Molecular Formula
C10H6BrF3O
Molecular Weight
279.050000
Exact Mass
277.955410
SMILES
C1CC(=O)C2=C1C(=CC(=C2)Br)C(F)(F)F
InChI
InChI=1S/C10H6BrF3O/c11-5-3-7-6(1-2-9(7)15)8(4-5)10(12,13)14/h3-4H,1-2H2
InChIKey
OBGVLJCUBVFJHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.8
TPSA
17.07
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.2
Consensus LogP
3.32
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-1.87
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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