CAS RN: 324028-24-2
N-BOC-2,3,4-TRIFLUORO-L-PHENYLALANINE
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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS324028-24-2
- Purity/Analytical Methods: >99.0%
324028-24-2 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4-trifluorophenyl)propanoic acid
Basic Information
CAS
324028-24-2
Multi CAS
No
Molecular Formula
C14F3H16NO4
Molecular Weight
319.280000
Exact Mass
319.103142
InChI
InChI=1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-9(12(19)20)6-7-4-5-8(15)11(17)10(7)16/h4-5,9H,6H2,1-3H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKey
YUTYVNCTEWHGSS-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.81
TPSA
75.63
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
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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