CAS RN: 336628-67-2
2-HYDROXY-3-TRIFLUOROMETHYL-BENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251025 | 10g | Out of stock | Inquiry | |
| Batchno.20250628 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260513 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250827 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-139816
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 | Shenzhen | Inquiry |
336628-67-2 / 2-hydroxy-3-(trifluoromethyl)benzaldehyde
Basic Information
CAS
336628-67-2
Multi CAS
Yes
Molecular Formula
C8F3H5O2
Molecular Weight
190.120000
Exact Mass
190.024164
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-4,13H
InChIKey
ZUNOXMJBNMKYOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.5
TPSA
37.3
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.3
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
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