![4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid structure](/static/products/4782/478246-64-9.webp)
4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid
TL;DR: 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid (CAS 478246-64-9) is a chemical compound with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrobenzoic acid, 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-nitrobenzoic acid, 4-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-benzoic Acid, 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-nitrobenzoicacid
| Molecular Formula | C19H19N3O6 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.3439 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.12738 |
| Heavy Atoms | 28 |
| Complexity | 923.8801 |
Chemical Identifiers
| CAS Number | 478246-64-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid (CAS 478246-64-9), with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid
Property Insights of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid
The XLogP value of 2.3439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid. Following Lipinski's Rule of Five, 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid has 1 hydrogen bond donor(s) and 7 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-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid?
The CAS number of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid is 478246-64-9.
What is the molecular formula of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid?
The molecular formula of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid is C19H19N3O6.
What is the molecular weight of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid?
The molecular weight of 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid is 385.13 g/mol.
Where can I buy 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid?
You can request a quote for 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic 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-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-3-nitrobenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.