![1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone structure](/static/products/895/895845-41-7.png)
1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone
TL;DR: 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone (CAS 895845-41-7) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
Also Known As: 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone, 1-(4-((1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)-2-phenoxyethanone, 1-[4-(1-Methyl-5-nitro-1H-benzoimidazol-2-ylmethyl)-piperazin-1-yl]-2-phenoxy-ethanone, 1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 2.2047 |
| Topological Polar Surface Area | 93.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1057.9489 |
Chemical Identifiers
| CAS Number | 895845-41-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCN(CC3)C(=O)COC4=CC=CC=C4 |
Product Overview
1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone (CAS 895845-41-7), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: 1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone.
Chemical Property Profile of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone
Property Insights of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone
The XLogP value of 2.2047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone. The TPSA of 93.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone. Following Lipinski's Rule of Five, 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone?
The CAS number of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone is 895845-41-7.
What is the molecular formula of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone?
The molecular formula of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone is C21H23N5O4.
What is the molecular weight of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone?
The molecular weight of 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone is 409.18 g/mol.
Where can I buy 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone?
You can request a quote for 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.