CAS RN: 720-94-5
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
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.20250608 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: SSC-181540
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: 10g, 5g, 25g, 100g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 10g | -- | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
720-94-5 / 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
Basic Information
CAS
720-94-5
Multi CAS
Yes
Molecular Formula
C11F3H9O2
Molecular Weight
230.180000
Exact Mass
230.055464
InChI
InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey
WRZMHTIRFOFFPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.19
TPSA
34.14
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.9
Consensus LogP
2.66
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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