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CAS 57452-98-9 l-Praziquantel molecular structure lightbox
CAS RN: 57452-98-9

l-Praziquantel

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57452-98-9
  • Purity/Analytical Methods: >99.0%
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57452-98-9 / 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

Standard CAS: 57452-98-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57452-98-9
Multi CAS
Yes
Molecular Formula
C19H24N2O2
Molecular Weight
312.400000
Exact Mass
312.183778
InChI
InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1
InChIKey
FSVJFNAIGNNGKK-KRWDZBQOSA-N

Physical Properties

Melting Point
136-138 °C 136 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
87.76
TPSA
40.62

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
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
3.5

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