CAS RN: 69159-50-8
1-(DIBENZOSUBERYL)PIPERAZINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250313 |
5g |
Out of stock |
15 business days | Inquiry |
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Product code:
starshine_CAS69159-50-8
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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