![CAS 1146080-60-5 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ol, 98+% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-60-5.gif)
CAS RN: 1146080-60-5
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ol, 98+%
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.20250507 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-60-5
- Purity/Analytical Methods: >99.0%
1146080-60-5 / 1-[1-(5-nitro-2-pyridinyl)benzimidazol-2-yl]piperidin-4-ol
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-ol | 1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-ol | SBB075715
Basic Information
CAS
1146080-60-5
Multi CAS
Yes
Molecular Formula
C17H17N5O3
Molecular Weight
339.300000
Exact Mass
339.133139
SMILES
C1CN(CCC1O)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H17N5O3/c23-13-7-9-20(10-8-13)17-19-14-3-1-2-4-15(14)21(17)16-6-5-12(11-18-16)22(24)25/h1-6,11,13,23H,7-10H2
InChIKey
TXSQRUIZZWLEJU-UHFFFAOYSA-N
Synonyms
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-ol
1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-ol
SBB075715
AKOS015941553
DB-311614
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
92.97
TPSA
97.32
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-3-ol, 98+% C17H17N5O3, MW: 339.36
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![CAS 1146080-62-7 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-3-ol, 98+% C17H17N5O3, MW: 339.36 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-62-7.gif)
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![CAS 1146080-70-7 4-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-piperazine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12532595.gif)
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