CAS RN: 659-28-9
4-(Trifluoromethoxy)benzaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-175517
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
- Available purity: ≥96%
- Inventory rows with stock: 2
- 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 | ≥96% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥96% | 4 In Stock | Shanghai | Inquiry |
| 25g | ≥96% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥96% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | ≥96% | 0 Out of Stock | Shenzhen | Inquiry |
659-28-9 / 4-(trifluoromethoxy)benzaldehyde
Basic Information
CAS
659-28-9
Multi CAS
No
Molecular Formula
C8F3H5O2
Molecular Weight
190.120000
Exact Mass
190.024164
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChIKey
XQNVDQZWOBPLQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.51
TPSA
26.3
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
3
Consensus LogP
2.5
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
