CAS RN: 137346-51-1
L-Asparagine,2-methyl-(9CI)
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.20250404 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS137346-51-1
- Purity/Analytical Methods: >99.0%
137346-51-1 / (2S)-2,4-diamino-2-methyl-4-oxobutanoic acid
Basic Information
CAS
137346-51-1
Multi CAS
No
Molecular Formula
C5H10N2O3
Molecular Weight
146.140000
Exact Mass
146.069142
SMILES
C[C@](CC(=O)N)(C(=O)O)N
InChI
InChI=1S/C5H10N2O3/c1-5(7,4(9)10)2-3(6)8/h2,7H2,1H3,(H2,6,8)(H,9,10)/t5-/m0/s1
InChIKey
XGKIMQBEEPDCSR-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.04
TPSA
106.41
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.18
XLogP3
-4.3
Consensus LogP
-2.27
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-4.56
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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