CAS RN: 154259-25-3
3′-BroMo-5′-(trifluoroMethyl)acetophenone
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-063639
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
154259-25-3 / 1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone
Basic Information
CAS
154259-25-3
Multi CAS
No
Molecular Formula
C9H6BrF3O
Molecular Weight
267.040000
Exact Mass
265.955410
SMILES
CC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C9H6BrF3O/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-4H,1H3
InChIKey
BVCLQCAMSFVBFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.15
TPSA
17.07
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.2
Consensus LogP
3.37
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-1.74
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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