![CAS 323-79-5 Ethanol,2,2′-[[3-(trifluoroMethyl)phenyl]iMino]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/323-79-5.gif)
CAS RN: 323-79-5
Ethanol,2,2′-[[3-(trifluoroMethyl)phenyl]iMino]bis-
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.20260501 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS323-79-5
- Purity/Analytical Methods: >99.0%
323-79-5 / 2-[N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
Basic Information
CAS
323-79-5
Multi CAS
Yes
Molecular Formula
C11F3H14NO2
Molecular Weight
249.230000
Exact Mass
249.097663
InChI
InChI=1S/C11H14F3NO2/c12-11(13,14)9-2-1-3-10(8-9)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7H2
InChIKey
CSXRYPPKUCHPDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.83
TPSA
43.7
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 323-87-5 4-hydroxy[1,1′-biphenyl]-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/323-87-5.gif)
