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CAS 52794-98-6 D-3,4-DICHLOROPHENYLALANINE molecular structure lightbox
CAS RN: 52794-98-6

D-3,4-DICHLOROPHENYLALANINE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260112 10g In stock Inquiry
Batchno.20260410 1g In stock Inquiry
Batchno.20250509 250mg In stock Inquiry
Batchno.20250820 25g In stock Inquiry
Batchno.20260128 5g In stock Inquiry
  • Product code: SSC-159926
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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: 10g
  • 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 52794-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

52794-98-6 / 2-amino-3-(3,4-dichlorophenyl)propanoic acid

Standard CAS: 52794-98-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52794-98-6
Multi CAS
Yes
Molecular Formula
C9H9CL2NO2
Molecular Weight
234.080000
Exact Mass
233.001034
InChI
InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1
InChIKey
NRCSJHVDTAAISV-MRVPVSSYSA-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
55.78
TPSA
63.32

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
-0.8
Consensus LogP
0.96
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.76

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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