TL;DR: 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline (CAS 1212665-88-7) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.1794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: EiM07-17681, (S)-1-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid, 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline, (2S)-1-[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid, 1-[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic Acid
| Molecular Formula | C21H25N3O5 |
| Molecular Weight | 399.1794 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1794 Da |
| Heavy Atoms | 29 |
| Complexity | 688.0 |
| SMILES | C1C[C@H](N(C1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O)C(=O)O |
| InChIKey | UWACIRVCEMTNJJ-KVULBXGLSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline. Following Lipinski's Rule of Five, 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline is 1212665-88-7.
The molecular formula of 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline is C21H25N3O5.
The molecular weight of 1-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-proline is 399.1794 g/mol.
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