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CAS 67199-13-7 2,2-Diphenyl-1-(piperazin-1-yl)ethanone molecular structure lightbox
CAS RN: 67199-13-7

2,2-Diphenyl-1-(piperazin-1-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67199-13-7
  • Purity/Analytical Methods: >99.0%
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67199-13-7 / 2,2-diphenyl-1-piperazin-1-ylethanone

Standard CAS: 67199-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67199-13-7
Multi CAS
No
Molecular Formula
C18H20N2O
Molecular Weight
280.400000
Exact Mass
280.157563
InChI
InChI=1S/C18H20N2O/c21-18(20-13-11-19-12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKey
YNQIPBVPYORMPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.18
TPSA
32.34

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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