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CAS 147065-05-2 4-Chloro-D-phenylalanine Hydrochloride molecular structure lightbox
CAS RN: 147065-05-2

4-Chloro-D-phenylalanine Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 200mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-057913
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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 147065-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

147065-05-2 / (2R)-2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride

Standard CAS: 147065-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147065-05-2
Multi CAS
No
Molecular Formula
C9H11Cl2NO2
Molecular Weight
236.090000
Exact Mass
235.016684
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)Cl.Cl
InChI
InChI=1S/C9H10ClNO2.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
PFOCEDBJFKVRHU-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
58.02
TPSA
63.32

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.94

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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