CAS RN: 1212983-75-9
(2R)-2-AMINO-2-(4-BROMO-2-FLUOROPHENYL)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.20250714 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1212983-75-9
- Purity/Analytical Methods: >99.0%
1212983-75-9 / (2R)-2-amino-2-(4-bromo-2-fluorophenyl)ethanol
2-amino-2-(4-bromo-2-fluorophenyl)ethan-1-ol | (s)-2-Amino-2-(4-bromo-2-fluorophenyl)ethan-1-ol | MFCD12827206
Basic Information
CAS
1212983-75-9
Multi CAS
Yes
Molecular Formula
C8H9BrFNO
Molecular Weight
234.070000
Exact Mass
232.985150
SMILES
C1=CC(=C(C=C1Br)F)[C@H](CO)N
InChI
InChI=1S/C8H9BrFNO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKey
GSJWPPAAQIQVCB-QMMMGPOBSA-N
Synonyms
2-amino-2-(4-bromo-2-fluorophenyl)ethan-1-ol
(s)-2-Amino-2-(4-bromo-2-fluorophenyl)ethan-1-ol
MFCD12827206
AKOS010286127
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.11
TPSA
46.25
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
0.9
Consensus LogP
1.29
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.03
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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