5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline
TL;DR: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline (CAS 669695-80-1) is a chemical compound with molecular formula C16H24N4O3 and molecular weight 320.18 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-(oxolan-2-ylmethyl)aniline
Also Known As: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline, 5-(4-methylpiperazin-1-yl)-2-nitro-N-((tetrahydrofuran-2-yl)methyl)aniline
| Molecular Formula | C16H24N4O3 |
|---|---|
| Molecular Weight | 320.18 g/mol |
| LogP | 1.9375 |
| Topological Polar Surface Area | 70.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.18484 |
| Heavy Atoms | 23 |
| Complexity | 552.25635 |
Chemical Identifiers
| CAS Number | 669695-80-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3 |
Product Overview
5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline (CAS 669695-80-1), with molecular formula C16H24N4O3 and molecular weight 320.18 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline.
Chemical Property Profile of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline
Property Insights of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline
The XLogP value of 1.9375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline. The TPSA of 70.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline. Following Lipinski's Rule of Five, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-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-(oxolan-2-ylmethyl)aniline?
The CAS number of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline is 669695-80-1.
What is the molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline?
The molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline is C16H24N4O3.
What is the molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline?
The molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline is 320.18 g/mol.
Where can I buy 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline?
You can request a quote for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-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-(oxolan-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(oxolan-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.