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CAS 27244-64-0 LEVODOPA RELATED COMPOUND A (50 MG) (3-(3,4,6-TRIHYDROXYPHENYL)-ALANINE) molecular structure lightbox
CAS RN: 27244-64-0

LEVODOPA RELATED COMPOUND A (50 MG) (3-(3,4,6-TRIHYDROXYPHENYL)-ALANINE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-126183
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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: 0.1g
  • 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 27244-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

27244-64-0 / (2S)-2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid

Standard CAS: 27244-64-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27244-64-0
Multi CAS
Yes
Molecular Formula
C9H11NO5
Molecular Weight
213.190000
Exact Mass
213.063722
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)/t5-/m0/s1
InChIKey
YLKRUSPZOTYMAT-YFKPBYRVSA-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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