CAS RN: 202468-27-7
l-aspartic acid-13c4,15n
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS202468-27-7
- Purity/Analytical Methods: >99.0%
202468-27-7 / (2S)-2-(15N)azanyl(1,2,3,4-13C4)butanedioic acid
Basic Information
CAS
202468-27-7
Multi CAS
No
Molecular Formula
C4H7NO4
Molecular Weight
138.070000
Exact Mass
138.047962
SMILES
[13CH2]([13C@@H]([13C](=O)O)[15NH2])[13C](=O)O
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/i1+1,2+1,3+1,4+1,5+1
InChIKey
CKLJMWTZIZZHCS-NYTNKSBQSA-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
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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