![CAS 587870-77-7 2-[[4-(2-Pyridinyl)-1-piperazinyl]Methyl]-1H-benziMidazole trihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/587870-77-7.gif)
CAS RN: 587870-77-7
2-[[4-(2-Pyridinyl)-1-piperazinyl]Methyl]-1H-benziMidazole trihydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250514 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS587870-77-7
- Purity/Analytical Methods: >99.0%
587870-77-7 / 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole;trihydrochloride
Basic Information
CAS
587870-77-7
Multi CAS
Yes
Molecular Formula
C17H22CL3N5
Molecular Weight
402.700000
Exact Mass
401.094079
InChI
InChI=1S/C17H19N5.3ClH/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17;;;/h1-8H,9-13H2,(H,19,20);3*1H
InChIKey
AZFUVPBLKQGSRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.56
TPSA
48.05
LogP / Solubility
WLOGP
3.55
MLOGP
3.14
XLogP3
3.55
Consensus LogP
3.41
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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