CAS RN: 1213623-75-6
(2R)-2-AMINO-2-(3,4,5-TRIFLUOROPHENYL)ETHAN-1-OL
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.20251121 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1213623-75-6
- Purity/Analytical Methods: >99.0%
1213623-75-6 / (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol
2-Amino-2-(3,4,5-trifluorophenyl)ethan-1-ol | 2-amino-2-(3,4,5-trifluorophenyl)ethanol | MFCD17284756
Basic Information
CAS
1213623-75-6
Multi CAS
Yes
Molecular Formula
C8H8F3NO
Molecular Weight
191.150000
Exact Mass
191.055798
SMILES
C1=C(C=C(C(=C1F)F)F)[C@H](CO)N
InChI
InChI=1S/C8H8F3NO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2/t7-/m0/s1
InChIKey
HHEXZBORTSEZEF-ZETCQYMHSA-N
Synonyms
2-Amino-2-(3,4,5-trifluorophenyl)ethan-1-ol
2-amino-2-(3,4,5-trifluorophenyl)ethanol
MFCD17284756
SCHEMBL1239524
HHEXZBORTSEZEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.33
TPSA
46.25
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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