CAS RN: 62054-67-5
THS-044
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260109 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250407 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260423 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250730 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251003 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250417 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250329 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250220 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS62054-67-5
- Purity/Analytical Methods: >99.0%
62054-67-5 / N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
Basic Information
CAS
62054-67-5
Multi CAS
No
Molecular Formula
C11F3H12N3O3
Molecular Weight
291.230000
Exact Mass
291.083076
InChI
InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChIKey
XUPDNGHJBHPAKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.11
TPSA
67.64
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
3
Consensus LogP
2.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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