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CAS 90084-48-3 1,4-Piperazinedicarboxaldehyde,2,3-dihydroxy-(7CI,9CI) molecular structure lightbox
CAS RN: 90084-48-3

1,4-Piperazinedicarboxaldehyde,2,3-dihydroxy-(7CI,9CI)

  • Product code: SSC-202517
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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 90084-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

90084-48-3 / 2,3-dihydroxypiperazine-1,4-dicarbaldehyde

Standard CAS: 90084-48-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90084-48-3
Multi CAS
Yes
Molecular Formula
C6H10N2O4
Molecular Weight
174.150000
Exact Mass
174.064057
InChI
InChI=1S/C6H10N2O4/c9-3-7-1-2-8(4-10)6(12)5(7)11/h3-6,11-12H,1-2H2
InChIKey
XSELINNOOANXKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.55
TPSA
81.08

LogP / Solubility

WLOGP
-2.45
MLOGP
-2.16
XLogP3
-0.9
Consensus LogP
-1.84
Log S (ESOL)
0.75
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
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)
-5.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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