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CAS 854750-33-7 L-Tyrosine, O-(2-fluoroethyl)-, trifluoroacetate molecular structure lightbox
CAS RN: 854750-33-7

L-Tyrosine, O-(2-fluoroethyl)-, trifluoroacetate

  • Product code: SSC-193885
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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 854750-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

854750-33-7 / (2S)-2-amino-3-[4-(2-fluoroethoxy)phenyl]propanoic acid

Standard CAS: 854750-33-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854750-33-7
Multi CAS
Yes
Molecular Formula
C11FH14NO3
Molecular Weight
227.230000
Exact Mass
227.095771
InChI
InChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m0/s1
InChIKey
QZZYPHBVOQMBAT-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.23
TPSA
72.55

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
-0.8
Consensus LogP
0.35
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.4

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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