CAS RN: 108321-07-9
Piperazine-N,N’-bis(2-hydroxypropanesulphonic acid) disodium salt
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS108321-07-9
- Purity/Analytical Methods: >99.0%
108321-07-9 / disodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate
POPSO disodium salt | 3,3'-(Piperazine-1,4-diyl)bis(2-hydroxypropane-1-sulfonic acid), disodium salt | disodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate
Basic Information
CAS
108321-07-9
Multi CAS
Yes
Molecular Formula
C10H20N2Na2O8S2
Molecular Weight
406.400000
Exact Mass
406.045647
SMILES
C1CN(CCN1CC(CS(=O)(=O)[O-])O)CC(CS(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C10H22N2O8S2.2Na/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2
InChIKey
XMRCLLXGMGEVHS-UHFFFAOYSA-L
Synonyms
POPSO disodium salt
3,3'-(Piperazine-1,4-diyl)bis(2-hydroxypropane-1-sulfonic acid), disodium salt
disodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate
DISODIUM 2-HYDROXY-3-[4-(2-HYDROXY-3-SULFONATOPROPYL)PIPERAZIN-1-YL]PROPANE-1-SULFONATE
POPSO sodium
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
74.02
TPSA
161.34
LogP / Solubility
WLOGP
-9.58
MLOGP
-8.4
XLogP3
-9.58
Consensus LogP
-9.19
Log S (ESOL)
4.2
Class (ESOL)
Highly soluble
Log S (Ali)
4.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.69
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)
-12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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