CAS RN: 1189444-94-7
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
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.20250621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1189444-94-7
- Purity/Analytical Methods: >99.0%
1189444-94-7 / 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine | 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine | C9H9ClF3N3O
Basic Information
CAS
1189444-94-7
Multi CAS
No
Molecular Formula
C9H9ClF3N3O
Molecular Weight
267.630000
Exact Mass
267.038624
SMILES
C1COCCN1C2=CC(=NC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H9ClF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKey
CBYBNUMRYGBXOS-UHFFFAOYSA-N
Synonyms
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
C9H9ClF3N3O
4-(6-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL)MORPHOLINE
MFCD09743689
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.08
TPSA
38.25
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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