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CAS 84935-37-5 1-CINNAMOYL-PIPERAZINE molecular structure lightbox
CAS RN: 84935-37-5

1-CINNAMOYL-PIPERAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS84935-37-5
  • Purity/Analytical Methods: >99.0%
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84935-37-5 / 3-phenyl-1-piperazin-1-ylprop-2-en-1-one

Standard CAS: 84935-37-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84935-37-5
Multi CAS
Yes
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
InChI
InChI=1S/C13H16N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2
InChIKey
DLCYXQODDJUHQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.93
TPSA
32.34

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.2
Consensus LogP
1.11
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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