CAS RN: 44864-47-3
(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid
- Product code: SSC-152792
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, 0.1g, 0.25g, 500g
- Available purity: 97%
- Inventory rows with stock: 14
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | 97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | 97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | 97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | 97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 4 In Stock | Shanghai | Inquiry |
| 100g | 97% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | 97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | 97% | 2 In Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 500g | 97% | 0 Out of Stock | Shanghai | Inquiry |
44864-47-3 / (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
Basic Information
CAS
44864-47-3
Multi CAS
Yes
Molecular Formula
C4F3H5O3
Molecular Weight
158.080000
Exact Mass
158.019079
InChI
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m1/s1
InChIKey
CTGJACFEVDCYMC-GSVOUGTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
24.31
TPSA
57.53
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
0.5
Consensus LogP
0.4
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 114127-18-3
- Product Code: ICTT3401
- Purity/Analytical method: >98.0%(HPLC)
