CAS RN: 114872-99-0
4-(Trifluoromethyl)-D-phenylalanine
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.20251112 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-014584
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
114872-99-0 / (2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
4-(Trifluoromethyl)-L-phenylalanine | DTXSID801347041 | RefChem:517117
Basic Information
CAS
114872-99-0
Multi CAS
Yes
Molecular Formula
C10H10F3NO2
Molecular Weight
233.190000
Exact Mass
233.066363
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
InChIKey
CRFFPDBJLGAGQL-MRVPVSSYSA-N
Synonyms
4-(Trifluoromethyl)-L-phenylalanine
DTXSID801347041
RefChem:517117
DTXCID301775756
822-926-1
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.76
TPSA
63.32
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
-0.6
Consensus LogP
0.84
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
