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CAS 2068-80-6 L-Aspartic Acid (Magnesium Salt), >98%,生物技术级 molecular structure lightbox
CAS RN: 2068-80-6

L-Aspartic Acid (Magnesium Salt), >98%,生物技术级

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 100g In stock Hebei Inquiry
Batchno.20250621 2.5kg Out of stock 8-10 business days Inquiry
Batchno.20250130 25g In stock Shanghai, Shandong Inquiry
Batchno.20251106 500g In stock Shandong Inquiry
  • Product code: LINA6099
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2068-80-6 / L-Aspartic Acid (Magnesium Salt), >98%,生物技术级

Standard CAS: 2068-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2068-80-6
Multi CAS
No
Molecular Formula
C4H7MgNO4
Molecular Weight
157.410000
Exact Mass
157.022549
SMILES
C([C@@H](C(=O)O)N)C(=O)O.[Mg]
InChI
InChI=1S/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/t2-;/m0./s1
InChIKey
ISYHFARMUCCYDZ-DKWTVANSSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.62
TPSA
100.62

LogP / Solubility

WLOGP
-1.51
MLOGP
-1.33
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-4.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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