CAS RN: 537050-14-9
2-Bromo-4′-fluoro-3′-(trifluoromethyl)acetophenone
- Product code: SSC-161107
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
537050-14-9 / 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
Basic Information
CAS
537050-14-9
Multi CAS
Yes
Molecular Formula
BC9H5ORf4
Molecular Weight
285.030000
Exact Mass
283.945990
InChI
InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2
InChIKey
BUNOSKWLVXNWEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.53
TPSA
17.07
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.4
Consensus LogP
3.28
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: ICTF0425
- Purity/Analytical method: >98.0%(HPLC)
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