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CAS 122839-52-5 D-4-Fluorophenylalanine hydrochloride molecular structure lightbox
CAS RN: 122839-52-5

D-4-Fluorophenylalanine hydrochloride

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 1g In stock Inquiry
Batchno.20260123 5g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-026385
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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: 5g
  • Available purity: >97%
  • 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 122839-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

122839-52-5 / (2R)-2-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride

Standard CAS: 122839-52-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122839-52-5
Multi CAS
No
Molecular Formula
C9H11ClFNO2
Molecular Weight
219.640000
Exact Mass
219.046234
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)F.Cl
InChI
InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1
InChIKey
ZDECBCKSULAIGP-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.96
TPSA
63.32

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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