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CAS RN: 319-76-6
2,2,2-TRIFLUORO-N-(2-INDOL-3-YLETHYL)ETHANAMIDE
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.20250623 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS319-76-6
- Purity/Analytical Methods: >99.0%
319-76-6 / 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
Basic Information
CAS
319-76-6
Multi CAS
No
Molecular Formula
C12F3H11N2O
Molecular Weight
256.220000
Exact Mass
256.082347
InChI
InChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7,17H,5-6H2,(H,16,18)
InChIKey
KDFCROJYVJQVQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.07
TPSA
44.89
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
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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