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CAS 3715-16-0 L-ASPARATIC ACID-15N molecular structure lightbox
CAS RN: 3715-16-0

L-ASPARATIC ACID-15N

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7 package records4 with current stock3 grade groups
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Batchno.20250421 100mg In stock Inquiry
Batchno.20250506 25mg Out of stock Inquiry
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Batchno.20250930 100mg In stock Inquiry
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Batchno.20251125 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS3715-16-0
  • Purity/Analytical Methods: >99.0%
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3715-16-0 / 2-aminobutanedioic acid

Standard CAS: 3715-16-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3715-16-0
Multi CAS
Yes
Molecular Formula
C4H7NO4
Molecular Weight
133.100000
Exact Mass
133.037508
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i5+1
InChIKey
CKLJMWTZIZZHCS-KPHKZEKTSA-N

Physical Properties

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
27.86
TPSA
100.62

LogP / Solubility

WLOGP
-1.13
MLOGP
-1
XLogP3
-2.8
Consensus LogP
-1.64
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
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)
-4.33

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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