CAS RN: 1356841-28-5
Aspartame-d3
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.20260119 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356841-28-5
- Purity/Analytical Methods: >99.0%
1356841-28-5 / (3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-(trideuteriomethoxy)propan-2-yl]amino]butanoic acid
Basic Information
CAS
1356841-28-5
Multi CAS
No
Molecular Formula
C14H18N2O5
Molecular Weight
297.320000
Exact Mass
297.140402
SMILES
[2H]C([2H])([2H])OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1/i1D3
InChIKey
IAOZJIPTCAWIRG-JRDZZGLNSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
74.32
TPSA
118.72
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.26
XLogP3
-2.7
Consensus LogP
-1.09
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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