![6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid structure](/static/products/904/904816-53-1.png)
6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid
TL;DR: 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid (CAS 904816-53-1) is a chemical compound with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperazin-1-yl]pyridine-3-carboxylic acid
Also Known As: 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid, 4-(5-Carboxypyridin-2-yl)-2-phenyl-piperazine-1-carboxylic acid tert-butyl ester, 4-(5-Carboxy-pyridin-2-yl)-2-phenyl-piperazine-1-carboxylic acid tert-butyl ester, 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperazin-1-yl]pyridine-3-carboxylic acid, 6-(4-(tert-Butoxycarbonyl)-3-phenylpiperazin-1-yl)nicotinic acid
| Molecular Formula | C21H25N3O4 |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 3.5782 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1845 |
| Heavy Atoms | 28 |
| Complexity | 830.97925 |
Chemical Identifiers
| CAS Number | 904816-53-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O |
Product Overview
6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid (CAS 904816-53-1), with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol. IUPAC: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperazin-1-yl]pyridine-3-carboxylic acid.
Chemical Property Profile of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid
Property Insights of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid
The XLogP value of 3.5782 indicates that 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic 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 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid?
The CAS number of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid is 904816-53-1.
What is the molecular formula of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid?
The molecular formula of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid is C21H25N3O4.
What is the molecular weight of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid?
The molecular weight of 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid is 383.18 g/mol.
Where can I buy 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid?
You can request a quote for 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{4-[(tert-Butoxy)carbonyl]-3-phenylpiperazin-1-yl}pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.