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CAS 873429-60-8 2,3,6-Trifluoro-L-phenylalanine molecular structure lightbox
CAS RN: 873429-60-8

2,3,6-Trifluoro-L-phenylalanine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 100mg In stock Shanghai Inquiry
Batchno.20260202 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260127 1g In stock Shanghai Inquiry
Batchno.20260315 250mg In stock Shanghai Inquiry
  • Product code: SSC-197183
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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 873429-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

873429-60-8 / (2S)-2-amino-3-(2,3,6-trifluorophenyl)propanoic acid

Standard CAS: 873429-60-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873429-60-8
Multi CAS
Yes
Molecular Formula
C9F3H8NO2
Molecular Weight
219.160000
Exact Mass
219.050713
InChI
InChI=1S/C9H8F3NO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)/t7-/m0/s1
InChIKey
DRQCAEOUDQSPEF-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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