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CAS 873429-59-5 2,3,5-Trifluoro-L-phenylalanine molecular structure lightbox
CAS RN: 873429-59-5

2,3,5-Trifluoro-L-phenylalanine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS873429-59-5
  • Purity/Analytical Methods: >99.0%
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873429-59-5 / 2-amino-3-(2,3,5-trifluorophenyl)propanoic acid

Standard CAS: 873429-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873429-59-5
Multi CAS
Yes
Molecular Formula
C9F3H8NO2
Molecular Weight
219.160000
Exact Mass
219.050713
InChI
InChI=1S/C9H8F3NO2/c10-5-1-4(2-7(13)9(14)15)8(12)6(11)3-5/h1,3,7H,2,13H2,(H,14,15)/t7-/m0/s1
InChIKey
XFJKHKSBWXNFRU-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.63
TPSA
63.32

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
-1.1
Consensus LogP
0.3
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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