CAS RN: 179811-62-2
Benzeneethanol, beta-amino-2-fluoro- (9CI)
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.20260428 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS179811-62-2
- Purity/Analytical Methods: >99.0%
179811-62-2 / 2-amino-2-(2-fluorophenyl)ethanol
Basic Information
CAS
179811-62-2
Multi CAS
No
Molecular Formula
C8H10FNO
Molecular Weight
155.170000
Exact Mass
155.074642
SMILES
C1=CC=C(C(=C1)C(CO)N)F
InChI
InChI=1S/C8H10FNO/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8,11H,5,10H2
InChIKey
SZOFSDXTFGOZLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.41
TPSA
46.25
LogP / Solubility
WLOGP
0.82
MLOGP
0.71
XLogP3
0.2
Consensus LogP
0.58
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
