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CAS 2058-58-4 D-(-)-Asparagine monohydrate molecular structure lightbox
CAS RN: 2058-58-4

D-(-)-Asparagine monohydrate

  • Product code: SSC-096933
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2058-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

2058-58-4 / (2R)-2,4-diamino-4-oxobutanoic acid

Standard CAS: 2058-58-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2058-58-4
Multi CAS
No
Molecular Formula
C4H8N2O3
Molecular Weight
132.120000
Exact Mass
132.053492
SMILES
C([C@H](C(=O)O)N)C(=O)N
InChI
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
InChIKey
DCXYFEDJOCDNAF-UWTATZPHSA-N

Physical Properties

Melting Point
234 - 235 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.42
TPSA
106.41

LogP / Solubility

WLOGP
-1.73
MLOGP
-1.53
XLogP3
-3.4
Consensus LogP
-2.22
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
0.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.55
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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