CAS RN: 75970-47-7
(1H-Benzimidazol-2-yl)-piperidin-4-yl-amine 2HBr
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.20260324 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75970-47-7
- Purity/Analytical Methods: >99.0%
75970-47-7 / N-piperidin-4-yl-1H-benzimidazol-2-amine;dihydrobromide
Basic Information
CAS
75970-47-7
Multi CAS
No
Molecular Formula
C12H18BR2N4
Molecular Weight
378.110000
Exact Mass
377.987770
InChI
InChI=1S/C12H16N4.2BrH/c1-2-4-11-10(3-1)15-12(16-11)14-9-5-7-13-8-6-9;;/h1-4,9,13H,5-8H2,(H2,14,15,16);2*1H
InChIKey
HLDKASZRJPWADR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
86.25
TPSA
52.74
LogP / Solubility
WLOGP
2.88
MLOGP
2.56
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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