CAS RN: 1213058-55-9
(2R)-2-AMINO-2-(5-CHLORO-3-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.20260307 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213058-55-9
- Purity/Analytical Methods: >99.0%
1213058-55-9 / (2R)-2-amino-2-(3-chloro-5-fluorophenyl)ethanol
2-amino-2-(3-chloro-5-fluorophenyl)ethan-1-ol | 2-amino-2-(3-chloro-5-fluorophenyl)ethanol | (2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol
Basic Information
CAS
1213058-55-9
Multi CAS
Yes
Molecular Formula
C8H9ClFNO
Molecular Weight
189.610000
Exact Mass
189.035670
SMILES
C1=C(C=C(C=C1F)Cl)[C@H](CO)N
InChI
InChI=1S/C8H9ClFNO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKey
PSEARNCXRNCEIO-QMMMGPOBSA-N
Synonyms
2-amino-2-(3-chloro-5-fluorophenyl)ethan-1-ol
2-amino-2-(3-chloro-5-fluorophenyl)ethanol
(2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol
SCHEMBL16679665
MFCD18704128
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
45.42
TPSA
46.25
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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