CAS RN: 24184-37-0
ethyl L-asparaginate monohydrochloride
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.20250127 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS24184-37-0
- Purity/Analytical Methods: >99.0%
24184-37-0 / ethyl (2S)-2,4-diamino-4-oxobutanoate;hydrochloride
Basic Information
CAS
24184-37-0
Multi CAS
No
Molecular Formula
C6H13ClN2O3
Molecular Weight
196.630000
Exact Mass
196.061470
SMILES
CCOC(=O)[C@H](CC(=O)N)N.Cl
InChI
InChI=1S/C6H12N2O3.ClH/c1-2-11-6(10)4(7)3-5(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/t4-;/m0./s1
InChIKey
RIGBOVZPZYVXER-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.67
TPSA
95.41
LogP / Solubility
WLOGP
-0.83
MLOGP
-0.73
XLogP3
-0.83
Consensus LogP
-0.8
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-4.51
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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- Product Code: starshine_CAS24186-38-7
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