5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
TL;DR: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline (CAS 439946-46-0) is a chemical compound with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
Also Known As: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline, 1-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}-4-methylpiperazine, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)benzenamine
| Molecular Formula | C17H21N5O2 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 2.3537 |
| Topological Polar Surface Area | 74.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.16953 |
| Heavy Atoms | 24 |
| Complexity | 699.382 |
Chemical Identifiers
| CAS Number | 439946-46-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 |
Product Overview
5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline (CAS 439946-46-0), with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
Property Insights of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
The XLogP value of 2.3537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline. The TPSA of 74.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline. Following Lipinski's Rule of Five, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline has 1 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 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The CAS number of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is 439946-46-0.
What is the molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is C17H21N5O2.
What is the molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is 327.17 g/mol.
Where can I buy 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
You can request a quote for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.