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CAS 5625-56-9 1,4-Piperazinedipropanesulfonic acid molecular structure lightbox
CAS RN: 5625-56-9

1,4-Piperazinedipropanesulfonic acid

  • Product code: SSC-164231
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5625-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5625-56-9 / 3-[4-(3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid

Standard CAS: 5625-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5625-56-9
Multi CAS
No
Molecular Formula
C10H22N2O6S2
Molecular Weight
330.400000
Exact Mass
330.091929
InChI
InChI=1S/C10H22N2O6S2/c13-19(14,15)9-1-3-11-5-7-12(8-6-11)4-2-10-20(16,17)18/h1-10H2,(H,13,14,15)(H,16,17,18)
InChIKey
PDLPTSJWDUCMKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
74.95
TPSA
115.22

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.72
XLogP3
-6.3
Consensus LogP
-2.62
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-5.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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