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CAS 28057-52-5 H-ASP-NH2 H2O molecular structure lightbox
CAS RN: 28057-52-5

H-ASP-NH2 H2O

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250120 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS28057-52-5
  • Purity/Analytical Methods: >99.0%
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28057-52-5 / 3,4-diamino-4-oxobutanoic acid

Standard CAS: 28057-52-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28057-52-5
Multi CAS
Yes
Molecular Formula
C4H8N2O3
Molecular Weight
132.120000
Exact Mass
132.053492
InChI
InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)
InChIKey
PMLJIHNCYNOQEQ-UHFFFAOYSA-N

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
-4.5
Consensus LogP
-2.59
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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