CAS RN: 89304-26-7
ALPHA-HYDROXY-BETA-OXALOSUCCINIC ACID TRISODIUM SALT
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.20250518 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89304-26-7
- Purity/Analytical Methods: >99.0%
89304-26-7 / trisodium;1-hydroxy-3-oxopropane-1,2,3-tricarboxylate
Basic Information
CAS
89304-26-7
Multi CAS
Yes
Molecular Formula
C6H3NA3O8
Molecular Weight
272.050000
Exact Mass
271.952100
InChI
InChI=1S/C6H6O8.3Na/c7-2(5(11)12)1(4(9)10)3(8)6(13)14;;;/h1-2,7H,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKey
WSDSCXNEGCRTMS-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
29.52
TPSA
157.69
LogP / Solubility
WLOGP
-15.21
MLOGP
-13.37
XLogP3
-15.21
Consensus LogP
-14.6
Log S (ESOL)
8.38
Class (ESOL)
Highly soluble
Log S (Ali)
9.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
10.59
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)
-15.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
