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CAS 28900-64-3 2,3-Dihydroxy-L-Phenylalanine molecular structure lightbox
CAS RN: 28900-64-3

2,3-Dihydroxy-L-Phenylalanine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS28900-64-3
  • Purity/Analytical Methods: >99.0%
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28900-64-3 / 2-amino-3-(2,3-dihydroxyphenyl)propanoic acid

Standard CAS: 28900-64-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28900-64-3
Multi CAS
Yes
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
InChI
InChI=1S/C9H11NO4/c10-6(9(13)14)4-5-2-1-3-7(11)8(5)12/h1-3,6,11-12H,4,10H2,(H,13,14)
InChIKey
NATUQRGCLABGAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
49.09
TPSA
103.78

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
-2.1
Consensus LogP
-0.67
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.89

Drug-likeness / Medicinal Chemistry

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

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