CAS RN: 2416417-65-5
MYF-01-37
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260319 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250604 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251125 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260107 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251110 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250808 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2416417-65-5
- Purity/Analytical Methods: >99.0%
2416417-65-5 / 1-[3-methyl-3-[3-(trifluoromethyl)anilino]pyrrolidin-1-yl]prop-2-en-1-one
Basic Information
CAS
2416417-65-5
Multi CAS
No
Molecular Formula
C15H17F3N2O
Molecular Weight
298.300000
Exact Mass
298.129298
SMILES
CC1(CCN(C1)C(=O)C=C)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H17F3N2O/c1-3-13(21)20-8-7-14(2,10-20)19-12-6-4-5-11(9-12)15(16,17)18/h3-6,9,19H,1,7-8,10H2,2H3
InChIKey
MTBDEVWWJBIUOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.87
TPSA
32.34
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.3
Consensus LogP
3.17
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-2.2
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
3
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