4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid
TL;DR: 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid (CAS 137726-00-2) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid
Also Known As: 4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid, 4-(4-methylpiperazino)-3-nitrobenzenecarboxylic acid, 6610AA, SDCCGSBI-0661351.P001, methylpiperazinonitrobenzenecarboxylicacid
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.0448 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 509.696 |
Chemical Identifiers
| CAS Number | 137726-00-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid (CAS 137726-00-2), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: 4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid
Property Insights of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid
The XLogP value of 1.0448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid has 1 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 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid?
The CAS number of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid is 137726-00-2.
What is the molecular formula of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid?
The molecular formula of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid is C12H15N3O4.
What is the molecular weight of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid?
The molecular weight of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid is 265.11 g/mol.
Where can I buy 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid?
You can request a quote for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.