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CAS 5374-19-6 2H-Pyrazino[2,1-a]isoquinoline, 1,3,4,6,7,11b-hexahydro-, (S)- (dihydrochloride) molecular structure lightbox
CAS RN: 5374-19-6

2H-Pyrazino[2,1-a]isoquinoline, 1,3,4,6,7,11b-hexahydro-, (S)- (dihydrochloride)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5374-19-6
  • Purity/Analytical Methods: >99.0%
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5374-19-6 / (11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride

Standard CAS: 5374-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5374-19-6
Multi CAS
Yes
Molecular Formula
C12H18CL2N2
Molecular Weight
261.190000
Exact Mass
260.084704
InChI
InChI=1S/C12H16N2.2ClH/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14;;/h1-4,12-13H,5-9H2;2*1H/t12-;;/m1../s1
InChIKey
WPASCARMJJLMHJ-CURYUGHLSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.83
TPSA
15.27

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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