12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
TL;DR: 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid (CAS 332025-17-9) is a chemical compound with molecular formula C28H25N3O5 and molecular weight 483.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[4-(4-nitrophenyl)piperazine-1-carbonyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Also Known As: 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid, 12-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
| Molecular Formula | C28H25N3O5 |
|---|---|
| Molecular Weight | 483.18 g/mol |
| LogP | 3.8514 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.1794 |
| Heavy Atoms | 36 |
| Complexity | 1316.1079 |
Chemical Identifiers
| CAS Number | 332025-17-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)O |
Product Overview
12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid (CAS 332025-17-9), with molecular formula C28H25N3O5 and molecular weight 483.18 g/mol. IUPAC: 16-[4-(4-nitrophenyl)piperazine-1-carbonyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
Chemical Property Profile of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
Property Insights of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
The XLogP value of 3.8514 indicates that 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid. Following Lipinski's Rule of Five, 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-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 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The CAS number of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is 332025-17-9.
What is the molecular formula of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The molecular formula of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is C28H25N3O5.
What is the molecular weight of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The molecular weight of 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is 483.18 g/mol.
Where can I buy 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
You can request a quote for 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-(4-(4-nitrophenyl)piperazine-1-carbonyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.