N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine
TL;DR: N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine (CAS 430452-22-5) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-piperazin-1-yl-N-(pyridin-3-ylmethyl)aniline
Also Known As: TOS-BB-0582, (2-nitro-5-piperazinylphenyl)(3-pyridylmethyl)amine, A2724/0115730, N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine, 2-nitro-5-(1-piperazinyl)-N-(3-pyridinylmethyl)aniline
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 2.0115 |
| Topological Polar Surface Area | 83.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 671.4257 |
Chemical Identifiers
| CAS Number | 430452-22-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 |
Product Overview
N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine (CAS 430452-22-5), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 2-nitro-5-piperazin-1-yl-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine
Property Insights of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine
The XLogP value of 2.0115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine. The TPSA of 83.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine. Following Lipinski's Rule of Five, N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine has 2 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 N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine?
The CAS number of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine is 430452-22-5.
What is the molecular formula of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine?
The molecular formula of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine is C16H19N5O2.
What is the molecular weight of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine?
The molecular weight of N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine is 313.15 g/mol.
Where can I buy N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine?
You can request a quote for N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.