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CAS 200260-37-3 D-ASPARTIC ACID ALPHA-AMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 200260-37-3

D-ASPARTIC ACID ALPHA-AMIDE HYDROCHLORIDE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260107 1g In stock Shanghai Inquiry
Batchno.20250613 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250702 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250504 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS200260-37-3
  • Purity/Analytical Methods: >99.0%
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200260-37-3 / (3R)-3,4-diamino-4-oxobutanoic acid

Standard CAS: 200260-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200260-37-3
Multi CAS
No
Molecular Formula
C4H8N2O3
Molecular Weight
132.120000
Exact Mass
132.053492
SMILES
C([C@H](C(=O)N)N)C(=O)O
InChI
InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m1/s1
InChIKey
PMLJIHNCYNOQEQ-UWTATZPHSA-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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