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CAS 26586-55-0 1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE molecular structure lightbox
CAS RN: 26586-55-0

1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS26586-55-0
  • Purity/Analytical Methods: >99.0%
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26586-55-0 / 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone

Standard CAS: 26586-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26586-55-0
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
IRIZGAMYKHTLKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.16
TPSA
23.55

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.89

Drug-likeness / Medicinal Chemistry

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

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