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CAS 1955-68-6 L-ASPARTIC ACID BETA-HYDROXAMATE molecular structure lightbox
CAS RN: 1955-68-6

L-ASPARTIC ACID BETA-HYDROXAMATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Hebei, Guangdong Inquiry
  • Product code: starshine_CAS1955-68-6
  • Purity/Analytical Methods: >99.0%
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1955-68-6 / (2S)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid

Standard CAS: 1955-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1955-68-6
Multi CAS
No
Molecular Formula
C4H8N2O4
Molecular Weight
148.120000
Exact Mass
148.048407
SMILES
C([C@@H](C(=O)O)N)C(=O)NO
InChI
InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
ZBYVTTSIVDYQSO-REOHCLBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
30.16
TPSA
112.65

LogP / Solubility

WLOGP
-1.71
MLOGP
-1.51
XLogP3
-3.5
Consensus LogP
-2.24
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
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)
-4.83

Drug-likeness / Medicinal Chemistry

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

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