CAS RN: 323194-76-9
L-ASPARTIC ACID SODIUM SALT MONOHYDRATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS323194-76-9
- Purity/Analytical Methods: >99.0%
323194-76-9 / sodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;hydrate
Basic Information
CAS
323194-76-9
Multi CAS
Yes
Molecular Formula
C4H8NNAO5
Molecular Weight
173.100000
Exact Mass
173.030017
InChI
InChI=1S/C4H7NO4.Na.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;+1;/p-1/t2-;;/m0../s1
InChIKey
PPTHNBYUFXSJPS-JIZZDEOASA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
28.85
TPSA
134.95
LogP / Solubility
WLOGP
-6.28
MLOGP
-5.53
XLogP3
-6.28
Consensus LogP
-6.03
Log S (ESOL)
3.24
Class (ESOL)
Highly soluble
Log S (Ali)
3.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.07
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)
-8.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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