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CAS RN: 363-39-3
N-(Trifluoroacetyl)-L-tryptophan
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS363-39-3
- Purity/Analytical Methods: >99.0%
363-39-3 / (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Basic Information
CAS
363-39-3
Multi CAS
No
Molecular Formula
C13F3H11N2O3
Molecular Weight
300.230000
Exact Mass
300.072177
InChI
InChI=1S/C13H11F3N2O3/c14-13(15,16)12(21)18-10(11(19)20)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,17H,5H2,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKey
PCGKHZTZDMCZNE-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
67.62
TPSA
82.19
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
