![CAS 1213078-55-7 (2R)-2-AMINO-2-[2-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213078-55-7.gif)
CAS RN: 1213078-55-7
(2R)-2-AMINO-2-[2-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213078-55-7
- Purity/Analytical Methods: >99.0%
1213078-55-7 / (2R)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
2-amino-2-[2-(trifluoromethyl)phenyl]ethan-1-ol | b-Amino-2-(trifluoromethyl)benzeneethanol | 2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
Basic Information
CAS
1213078-55-7
Multi CAS
Yes
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
C1=CC=C(C(=C1)[C@H](CO)N)C(F)(F)F
InChI
InChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m0/s1
InChIKey
OIRSHTSIVLNGMS-QMMMGPOBSA-N
Synonyms
2-amino-2-[2-(trifluoromethyl)phenyl]ethan-1-ol
b-Amino-2-(trifluoromethyl)benzeneethanol
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
MFCD11106295
beta-Amino-2-(trifluoromethyl)benzeneethanol
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.46
TPSA
46.25
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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