CAS RN: 507-52-8
2-Trifluoromethyl-2-propanol
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251222 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260310 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260424 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251128 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250206 | 5g | In stock | Shandong | Inquiry |
- Product code: ICTT1710
- Purity/Analytical Methods: >97.0%(GC)
507-52-8 / 1,1,1-trifluoro-2-methylpropan-2-ol
Basic Information
CAS
507-52-8
Multi CAS
Yes
Molecular Formula
C4F3H7O
Molecular Weight
128.090000
Exact Mass
128.044899
InChI
InChI=1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
InChIKey
OCGWWLDZAFOHGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.35
TPSA
20.23
LogP / Solubility
WLOGP
1.32
MLOGP
1.15
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 78573-45-2 3-[3-(Trifluoromethyl)phenyl]-1-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3095-jpgcontextbwfzdgvyfhjvb3r8mju1mzf8aw1hz2uvanblz3xoztavadvmlzg5mzi2ntk1nja0nzgvvdmwotuuanbnfdfjotmyodiymdljmmi4nza0ndc0njuyytc3yjuwzde0nzvkodkwzgvjztk2mzyyytfmzdc1nzyzzjg0mzdkyzg.jpeg)
