![CAS 53473-36-2 3-[4-(Trifluoromethyl)phenyl]propionic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2927-jpgcontextbwfzdgvyfhjvb3r8mjy2mjl8aw1hz2uvanblz3xoy2ivagzmlzg5mzi2ntewnda3otgvvdi5mjcuanbnfdy1mmi0mtm1oguwmwy1nwizyjm3yzhmmji2otfmyzbimzc2mmnjywqzztixztzkymqyntjintawzdkwmwfmndm.jpeg)
CAS RN: 53473-36-2
3-[4-(Trifluoromethyl)phenyl]propionic Acid
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.20260403 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-160818
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: 1g, 5g, 10g, 25g, 100g
- Available purity: >96%
- 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 |
|---|---|---|---|---|
| 1g | >96% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >96% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >96% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >96% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >96% | 0 Out of Stock | Shenzhen | Inquiry |
53473-36-2 / 3-[4-(trifluoromethyl)phenyl]propanoic acid
Basic Information
CAS
53473-36-2
Multi CAS
Yes
Molecular Formula
C10F3H9O2
Molecular Weight
218.170000
Exact Mass
218.055464
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)
InChIKey
OEIUMLSCWINLBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.4
TPSA
37.3
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.12
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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- Purity/Analytical method: >98.0%(GC)(T)
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