CAS RN: 910412-48-5
2-(4-fluoro-2-methoxyphenyl)ethan-1-amine, 97%(HPLC)
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.20260603 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINF926748
910412-48-5 / 2-(4-fluoro-2-methoxyphenyl)ethanamine
Basic Information
CAS
910412-48-5
Multi CAS
No
Molecular Formula
C9FH12NO
Molecular Weight
169.200000
Exact Mass
169.090292
InChI
InChI=1S/C9H12FNO/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKey
OEGFCVYIFNCXOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.71
TPSA
35.25
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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