CAS RN: 108321-08-0
Piperazine-N,N’-bis(2-hydroxypropanesulfonic acid) sesquisodium 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250719 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS108321-08-0
- Purity/Analytical Methods: >99.0%
108321-08-0 / trisodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate;2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonate
Basic Information
CAS
108321-08-0
Multi CAS
Yes
Molecular Formula
C20H41N4Na3O16S4
Molecular Weight
790.800000
Exact Mass
790.109349
SMILES
C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)[O-])O.C1CN(CCN1CC(CS(=O)(=O)[O-])O)CC(CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/2C10H22N2O8S2.3Na/c2*13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;;/h2*9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);;;/q;;3*+1/p-3
InChIKey
OZLQPIXHRUVBEU-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
19
H-bond donors
5
Molar refractivity
149.9
TPSA
319.85
LogP / Solubility
WLOGP
-15.81
MLOGP
-13.84
XLogP3
-15.81
Consensus LogP
-15.15
Log S (ESOL)
6.28
Class (ESOL)
Highly soluble
Log S (Ali)
5.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.4
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-18.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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