CAS RN: 172906-90-0
PB28dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS172906-90-0
- Purity/Analytical Methods: >99.0%
172906-90-0 / 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
Basic Information
CAS
172906-90-0
Multi CAS
No
Molecular Formula
C24H38N2O
Molecular Weight
370.600000
Exact Mass
370.298414
SMILES
COC1=CC=CC2=C1CCCC2CCCN3CCN(CC3)C4CCCCC4
InChI
InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
InChIKey
PHRCDWVPTULQMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
112.79
TPSA
15.71
LogP / Solubility
WLOGP
4.85
MLOGP
4.28
XLogP3
5.4
Consensus LogP
4.84
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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