CAS RN: 69159-50-8

1-(DIBENZOSUBERYL)PIPERAZINE

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Batchno.20250313 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS69159-50-8
  • Purity/Analytical Methods: >99.0%
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69159-50-8 / 1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine

Standard CAS: 69159-50-8 Multi CAS: Yes

Basic Information

CAS
69159-50-8
Multi CAS
Yes
Molecular Formula
C19H22N2
Molecular Weight
278.400000
Exact Mass
278.178299
InChI
InChI=1S/C19H22N2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)21-13-11-20-12-14-21/h1-8,19-20H,9-14H2
InChIKey
MDBCLUYDTRHKCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.58
TPSA
15.27

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
3.1
Consensus LogP
2.78
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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