CAS RN: 465529-50-4
4-(TrifluoroMethoxy)-benzenepropanaMine
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.20251030 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS465529-50-4
- Purity/Analytical Methods: >99.0%
465529-50-4 / 3-[4-(trifluoromethoxy)phenyl]propan-1-amine
Basic Information
CAS
465529-50-4
Multi CAS
No
Molecular Formula
C10F3H12NO
Molecular Weight
219.200000
Exact Mass
219.087098
InChI
InChI=1S/C10H12F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKey
NMMRPWQPYYIKRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.5
TPSA
35.25
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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