TL;DR: But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate (CAS 109523-92-4) is a chemical compound with molecular formula C22H19ClN2O6 and molecular weight 442.09317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate
Also Known As: F 2875
| Molecular Formula | C22H19ClN2O6 |
| Molecular Weight | 442.09317 g/mol |
| XLogP | 3.6587 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.09317 Da |
| Heavy Atoms | 31 |
| Complexity | 504.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)CN3C=CN=C3)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | AOCKFAGJCCCUTQ-UHFFFAOYSA-N |
The XLogP value of 3.6587 indicates that But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate. Following Lipinski's Rule of Five, But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate is 109523-92-4.
The molecular formula of But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate is C22H19ClN2O6.
The molecular weight of But-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate is 442.09317 g/mol.
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