CAS RN: 1785479-48-2
2-(2-Amino-5-fluorophenyl)acetic acid
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.20250527 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1785479-48-2
- Purity/Analytical Methods: >99.0%
1785479-48-2 / 2-(2-amino-5-fluorophenyl)acetic acid
Basic Information
CAS
1785479-48-2
Multi CAS
No
Molecular Formula
C8H8FNO2
Molecular Weight
169.150000
Exact Mass
169.053907
SMILES
C1=CC(=C(C=C1F)CC(=O)O)N
InChI
InChI=1S/C8H8FNO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKey
BKHHBDZQXPDZAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.15
TPSA
63.32
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.02
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
1.5
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