![2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid structure](/static/products/7824/78243-32-0.webp)
2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid
TL;DR: 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid (CAS 78243-32-0) is a chemical compound with molecular formula C15H18N2O6 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid
Also Known As: 2-[4-(ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid, 2-(4-(ethoxycarbonyl)piperidin-1-yl)-5-nitrobenzoic acid, 2-[4-(ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid, 2-(4-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid, 2-[4-(Ethoxycarbonyl)piperidin-1yl]-5-nitrobenzoic acid
| Molecular Formula | C15H18N2O6 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 2.0725 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1165 |
| Heavy Atoms | 23 |
| Complexity | 622.3932 |
Chemical Identifiers
| CAS Number | 78243-32-0 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid (CAS 78243-32-0), with molecular formula C15H18N2O6 and molecular weight 322.12 g/mol. IUPAC: 2-(4-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid.
Chemical Property Profile of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid
Property Insights of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid
The XLogP value of 2.0725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid. Following Lipinski's Rule of Five, 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid 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 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid?
The CAS number of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid is 78243-32-0.
What is the molecular formula of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid?
The molecular formula of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid is C15H18N2O6.
What is the molecular weight of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid?
The molecular weight of 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid is 322.12 g/mol.
Where can I buy 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid?
You can request a quote for 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.