CAS RN: 138-09-0
L-HYDROXYBUTANEDIOIC ACID DISODIUM SALT
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.20250906 | 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS138-09-0
- Purity/Analytical Methods: >99.0%
138-09-0 / disodium;(2S)-2-hydroxybutanedioate
Basic Information
CAS
138-09-0
Multi CAS
No
Molecular Formula
C4H4Na2O5
Molecular Weight
178.050000
Exact Mass
177.985412
SMILES
C([C@@H](C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKey
WPUMTJGUQUYPIV-JIZZDEOASA-L
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
20.64
TPSA
100.49
LogP / Solubility
WLOGP
-9.75
MLOGP
-8.59
XLogP3
-9.75
Consensus LogP
-9.36
Log S (ESOL)
5.4
Class (ESOL)
Highly soluble
Log S (Ali)
6.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.92
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)
-10.73
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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