(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone
TL;DR: (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone (CAS 898459-85-3) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
Also Known As: F2604-0460, 1-{6-[4-(2-nitrobenzoyl)piperazin-1-yl]pyridazin-3-yl}azepane, (4-(6-(azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone, [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone, {4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl}(o-nitrophenyl)methanone
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 2.7276 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 887.8696 |
Chemical Identifiers
| CAS Number | 898459-85-3 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone (CAS 898459-85-3), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone
Property Insights of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone
The XLogP value of 2.7276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 7 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-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone?
The CAS number of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone is 898459-85-3.
What is the molecular formula of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone?
The molecular formula of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone is C21H26N6O3.
What is the molecular weight of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone?
The molecular weight of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone is 410.21 g/mol.
Where can I buy (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone?
You can request a quote for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(2-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.