![[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone structure](/static/products/7167/7167-13-7.webp)
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone
TL;DR: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone (CAS 7167-13-7) is a chemical compound with molecular formula C21H21BrN6O3 and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone
Also Known As: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone|1-(2-bromobenzyl)-4-{4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine|{4-[(2-Bromophenyl)methyl]piperazin-1-yl}{4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methanone
| Molecular Formula | C21H21BrN6O3 |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 2.9551 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.08585 |
| Heavy Atoms | 31 |
| Complexity | 1076.7289 |
Chemical Identifiers
| CAS Number | 7167-13-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)CN4C=NC(=N4)[N+](=O)[O-] |
Product Overview
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone (CAS 7167-13-7), with molecular formula C21H21BrN6O3 and molecular weight 484.09 g/mol. IUPAC: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone.
Chemical Property Profile of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone
Property Insights of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone
The XLogP value of 2.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone. Following Lipinski's Rule of Five, [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone 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 [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone?
The CAS number of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone is 7167-13-7.
What is the molecular formula of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone?
The molecular formula of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone is C21H21BrN6O3.
What is the molecular weight of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone?
The molecular weight of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone is 484.09 g/mol.
Where can I buy [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone?
You can request a quote for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.