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CAS 58298-97-8 Spermine Phosphate Hexahydrate molecular structure lightbox
CAS RN: 58298-97-8

Spermine Phosphate Hexahydrate

  • Product code: SSC-166520
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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: 1g
  • 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 58298-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

58298-97-8 / N,N'-bis(3-aminopropyl)butane-1,4-diamine;phosphoric acid;hexahydrate

Standard CAS: 58298-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58298-97-8
Multi CAS
Yes
Molecular Formula
C10H44N4O14P2
Molecular Weight
506.420000
Exact Mass
506.232926
InChI
InChI=1S/C10H26N4.2H3O4P.6H2O/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;2*1-5(2,3)4;;;;;;/h13-14H,1-12H2;2*(H3,1,2,3,4);6*1H2
InChIKey
WMFKFCJIERGVIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
10
Molar refractivity
112.52
TPSA
420.62

LogP / Solubility

WLOGP
-7.16
MLOGP
-6.27
XLogP3
-7.16
Consensus LogP
-6.86
Log S (ESOL)
2.26
Class (ESOL)
Highly soluble
Log S (Ali)
1.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.67
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)
-10.89

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
2.5

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