CAS RN: 459-28-9
10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINE
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.20250711 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS459-28-9
- Purity/Analytical Methods: >99.0%
459-28-9 / 2-(4-fluorophenyl)-N-methylethanamine
Basic Information
CAS
459-28-9
Multi CAS
No
Molecular Formula
C9FH12N
Molecular Weight
153.200000
Exact Mass
153.095378
InChI
InChI=1S/C9H12FN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
NCBPDSPIVAMJIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.03
TPSA
12.03
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
1.9
Consensus LogP
1.63
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.33
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)
-2.53
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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- CAS RN: 459-80-3
- Product Code: starshine_CAS459-80-3
- Purity/Analytical method: >99.0%
