CAS RN: 1383929-94-9
N-Acetyl -L-Aspartic Acid-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.20251110 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1383929-94-9
- Purity/Analytical Methods: >99.0%
1383929-94-9 / (2S)-2-[(2,2,2-trideuterioacetyl)amino]butanedioic acid
Basic Information
CAS
1383929-94-9
Multi CAS
No
Molecular Formula
C6H9NO5
Molecular Weight
178.160000
Exact Mass
178.066903
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i1D3
InChIKey
OTCCIMWXFLJLIA-OSIBIXDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.49
TPSA
103.7
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.84
XLogP3
-1.1
Consensus LogP
-0.96
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-4.46
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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![CAS 1383982-64-6 Dispiro[cyclohexane-1,2′-[2H]indene-1′(3’H),2”-[2H]iMidazol]-4”-aMine, 4-Methoxy-5”-Methyl-6′-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1’R,4β)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383982-64-6.gif)
