CAS RN: 40161-55-5
2-Bromo-5-fluorobenzotrifluoride
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-148181
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: 5g, 10g, 25g, 100g, 500g, 1000g
- 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 |
|---|---|---|---|---|
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
40161-55-5 / 1-bromo-4-fluoro-2-(trifluoromethyl)benzene
Basic Information
CAS
40161-55-5
Multi CAS
Yes
Molecular Formula
BC7H3Rf4
Molecular Weight
243.000000
Exact Mass
241.935430
InChI
InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKey
AIDVAZGOACECLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
4
Molar refractivity
39.1
TPSA
0.0000
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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)
-1.64
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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1-Bromo-3-fluoro-4-(trifluoromethoxy)benzene
- CAS RN: 105529-58-6
- Product Code: SSC-007248
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