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CAS 5436-89-5 1,4-Dipropionylpiperazine molecular structure lightbox
CAS RN: 5436-89-5

1,4-Dipropionylpiperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5436-89-5
  • Purity/Analytical Methods: >99.0%
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5436-89-5 / 1-(4-propanoylpiperazin-1-yl)propan-1-one

Standard CAS: 5436-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5436-89-5
Multi CAS
Yes
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
InChI
InChI=1S/C10H18N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-8H2,1-2H3
InChIKey
QEKXDZCHBZODIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.74
TPSA
40.62

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.59

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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