![CAS 1146080-64-9 {1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW: 438.49 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-64-9.gif)
CAS RN: 1146080-64-9
{1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW: 438.49
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.20250212 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-64-9
- Purity/Analytical Methods: >99.0%
1146080-64-9 / tert-butyl N-[1-[1-(5-nitro-2-pyridinyl)benzimidazol-2-yl]piperidin-4-yl]carbamate
{1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-carbamic acid tert-butyl ester | tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate | {1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW
Basic Information
CAS
1146080-64-9
Multi CAS
Yes
Molecular Formula
C22H26N6O4
Molecular Weight
438.500000
Exact Mass
438.201553
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H26N6O4/c1-22(2,3)32-21(29)24-15-10-12-26(13-11-15)20-25-17-6-4-5-7-18(17)27(20)19-9-8-16(14-23-19)28(30)31/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)
InChIKey
XOPGYUSBIQKOTM-UHFFFAOYSA-N
Synonyms
{1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-carbamic acid tert-butyl ester
tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate
{1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW
SBB075717
AKOS015941580
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
120.12
TPSA
115.42
LogP / Solubility
WLOGP
3.82
MLOGP
3.39
XLogP3
3.9
Consensus LogP
3.7
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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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)
![CAS 1146080-74-1 2-[2-(3-HydroxyMethyl-piperidin-1-yl)-benzoiMidazol-1-yl]-nicotinonitrile, 98+% C19H19N5O, MW: 333.39 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-74-1.gif)
