TL;DR: bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- (CAS 1212257-59-4) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]-, 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 6-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic Acid, 3-[[4-(4-NITROPHENYL)PIPERAZIN-1-YL]CARBONYL]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C19H21N3O5 |
| Molecular Weight | 371.14813 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.14813 Da |
| Heavy Atoms | 27 |
| Complexity | 644.0 |
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3C4CC(C3C(=O)O)C=C4 |
| InChIKey | RVRXKNMUJNHZMO-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]-. Following Lipinski's Rule of Five, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- is 1212257-59-4.
The molecular formula of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- is C19H21N3O5.
The molecular weight of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- is 371.14813 g/mol.
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