CAS RN: 641571-02-0
3-Morpholin-4-yl-5-trifluoromethyl-phenylamine
- Product code: SSC-173918
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
641571-02-0 / 3-morpholin-4-yl-5-(trifluoromethyl)aniline
Basic Information
CAS
641571-02-0
Multi CAS
No
Molecular Formula
C11F3H13N2O
Molecular Weight
246.230000
Exact Mass
246.097998
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)8-5-9(15)7-10(6-8)16-1-3-17-4-2-16/h5-7H,1-4,15H2
InChIKey
IVQIGNIDIKGVHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.89
TPSA
38.49
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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