![(3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone structure](/static/products/5975/597545-75-0.webp)
(3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone
TL;DR: (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone (CAS 597545-75-0) is a chemical compound with molecular formula C18H19BrN4O3 and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: (3-bromophenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone, (3-bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone, (3-bromophenyl)(4-(3-(methylamino)-4-nitrophenyl)piperazin-1-yl)methanone, (3-bromophenyl)-[4-(3-methylamino-4-nitro-phenyl)piperazin-1-yl]methanone
| Molecular Formula | C18H19BrN4O3 |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 3.3614 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.06406 |
| Heavy Atoms | 26 |
| Complexity | 834.936 |
Chemical Identifiers
| CAS Number | 597545-75-0 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-] |
Product Overview
(3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone (CAS 597545-75-0), with molecular formula C18H19BrN4O3 and molecular weight 418.06 g/mol. IUPAC: (3-bromophenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone
Property Insights of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone
The XLogP value of 3.3614 indicates that (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone. Following Lipinski's Rule of Five, (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone has 1 hydrogen bond donor(s) and 5 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 (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone?
The CAS number of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone is 597545-75-0.
What is the molecular formula of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone?
The molecular formula of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone is C18H19BrN4O3.
What is the molecular weight of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone?
The molecular weight of (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone is 418.06 g/mol.
Where can I buy (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone?
You can request a quote for (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromophenyl){4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.