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CAS 70543-06-5 DL-Aspartic acid, N-(1,2-dicarboxyethyl)- molecular structure lightbox
CAS RN: 70543-06-5

DL-Aspartic acid, N-(1,2-dicarboxyethyl)-

  • Product code: SSC-180314
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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 70543-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

70543-06-5 / 2-(1,2-dicarboxyethylamino)butanedioic acid

Standard CAS: 70543-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70543-06-5
Multi CAS
No
Molecular Formula
C8H11NO8
Molecular Weight
249.170000
Exact Mass
249.048466
InChI
InChI=1S/C8H11NO8/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
InChIKey
PQHYOGIRXOKOEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
50.49
TPSA
161.23

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.37
XLogP3
-4.2
Consensus LogP
-2.38
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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