CAS RN: 7755-92-2

1-Formylpiperazine

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8 package records6 with current stock4 grade groups
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Batchno.20260409 100g In stock Shanghai Inquiry
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  • Product code: ICTF0194
  • Purity/Analytical Methods: >98.0%(GC)
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7755-92-2 / piperazine-1-carbaldehyde

Standard CAS: 7755-92-2 Multi CAS: Yes

Basic Information

CAS
7755-92-2
Multi CAS
Yes
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
InChI
InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
InChIKey
MSSDTZLYNMFTKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.51
TPSA
32.34

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.85
XLogP3
-0.9
Consensus LogP
-0.9
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.09

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
1.5

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