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CAS 119009-47-1 2-(TRIFLUOROMETHYL)-DL-PHENYLALANINE molecular structure lightbox
CAS RN: 119009-47-1

2-(TRIFLUOROMETHYL)-DL-PHENYLALANINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-019280
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119009-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

119009-47-1 / (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid

2-Trifluoromethyl-L-Phenylalanine | 2-(Trifluoromethyl)-L-phenylalanine | (S)-2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

Standard CAS: 119009-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119009-47-1
Multi CAS
Yes
Molecular Formula
C10H10F3NO2
Molecular Weight
233.190000
Exact Mass
233.066363
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
InChIKey
IOABLDGLYOGEHY-QMMMGPOBSA-N
Synonyms
2-Trifluoromethyl-L-Phenylalanine 2-(Trifluoromethyl)-L-phenylalanine (S)-2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid L-2-Trifluoromethylphenylalanine

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
-0.5
Consensus LogP
0.87
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

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