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CAS 88372-34-3 3,3-diphenyl-1-(piperazin-1-yl)propan-1-one molecular structure lightbox
CAS RN: 88372-34-3

3,3-diphenyl-1-(piperazin-1-yl)propan-1-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88372-34-3
  • Purity/Analytical Methods: >99.0%
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88372-34-3 / 3,3-diphenyl-1-piperazin-1-ylpropan-1-one

Standard CAS: 88372-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88372-34-3
Multi CAS
Yes
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
InChI
InChI=1S/C19H22N2O/c22-19(21-13-11-20-12-14-21)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2
InChIKey
JNALRJOIXRFIQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.79
TPSA
32.34

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-2.64

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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