2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde
TL;DR: 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde (CAS 30742-63-3) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-5-nitrobenzaldehyde
Also Known As: 2-(4-methylpiperazin-1-yl)-5-nitrobenzaldehyde, 2-(4-methylpiperazino)-5-nitrobenzenecarbaldehyde, 2- -5-nitrobenzenecarbaldehyde, 9754AD, methylpiperazinonitrobenzenecarbaldehyde
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 1.1591 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 467.63547 |
Chemical Identifiers
| CAS Number | 30742-63-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O |
Product Overview
2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde (CAS 30742-63-3), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-5-nitrobenzaldehyde.
Chemical Property Profile of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde
Property Insights of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde
The XLogP value of 1.1591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde has 0 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 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde?
The CAS number of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde is 30742-63-3.
What is the molecular formula of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde?
The molecular formula of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde is C12H15N3O3.
What is the molecular weight of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde?
The molecular weight of 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde is 249.11 g/mol.
Where can I buy 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde?
You can request a quote for 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.