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CAS 23358-64-7 2,4,5-TRIHYDROXYPHENYLALANINE molecular structure lightbox
CAS RN: 23358-64-7

2,4,5-TRIHYDROXYPHENYLALANINE

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 10mg Out of stock Inquiry
Batchno.20250804 1g Out of stock Inquiry
Batchno.20260619 250mg In stock Inquiry
Batchno.20251017 50mg In stock Inquiry
Batchno.20260531 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS23358-64-7
  • Purity/Analytical Methods: >99.0%
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23358-64-7 / (2S)-2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid

Standard CAS: 23358-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23358-64-7
Multi CAS
No
Molecular Formula
C9H11NO5
Molecular Weight
213.190000
Exact Mass
213.063722
SMILES
C1=C(C(=CC(=C1O)O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
InChIKey
YLKRUSPZOTYMAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
5
Molar refractivity
50.75
TPSA
124.01

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
-2.5
Consensus LogP
-0.98
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

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

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