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CAS 59813-05-7 Piperazine Dihydrobromide molecular structure lightbox
CAS RN: 59813-05-7

Piperazine Dihydrobromide

  • Product code: SSC-168383
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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: ＞97%
  • 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 59813-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

59813-05-7 / piperazine;dihydrobromide

Standard CAS: 59813-05-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59813-05-7
Multi CAS
Yes
Molecular Formula
C4H12BR2N2
Molecular Weight
247.960000
Exact Mass
247.934670
InChI
InChI=1S/C4H10N2.2BrH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H
InChIKey
UXWKNNJFYZFNDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.38
TPSA
24.06

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99

Drug-likeness / Medicinal Chemistry

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

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