TL;DR: (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate (CAS 1164477-90-0) is a chemical compound with molecular formula C24H26BrN3O5 and molecular weight 515.1056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(Z)-3-(4-bromophenyl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]piperazine-1-carboxylate
Also Known As: (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate, 4-[(Z)-3-(4-Bromo-phenyl)-2-(4-methoxy-benzoylamino)-acryloyl]-piperazine-1-carboxylic acid ethyl ester, ethyl 4-[(2Z)-3-(4-bromophenyl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoyl]piperazine-1-carboxylate, ethyl 4-[(Z)-3-(4-bromophenyl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]piperazine-1-carboxylate
| Molecular Formula | C24H26BrN3O5 |
| Molecular Weight | 515.1056 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.1056 Da |
| Heavy Atoms | 33 |
| Complexity | 707.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(C=C3)OC |
| InChIKey | DGMIJDLSAQUHAL-PGMHBOJBSA-N |
The XLogP value of 3.6 indicates that (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate is 1164477-90-0.
The molecular formula of (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate is C24H26BrN3O5.
The molecular weight of (Z)-ethyl 4-(3-(4-bromophenyl)-2-(4-methoxybenzamido)acryloyl)piperazine-1-carboxylate is 515.1056 g/mol.
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