TL;DR: 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione (CAS 120040-29-1) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
Also Known As: 4-Mtmp, Aluminum,compd. with neodymium (4:1), 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione, (6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione, 1-methyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-2,5-dione
| Molecular Formula | C16H20N2O5 |
| Molecular Weight | 320.1372 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.1372 Da |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
| SMILES | CC1=C(C(=CC(=C1OC)OC)/C=C\2/C(=O)NCC(=O)N2C)OC |
| InChIKey | IGYZMVXOHSZNIN-WDZFZDKYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione. Following Lipinski's Rule of Five, 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione has 1 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 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione is 120040-29-1.
The molecular formula of 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione is C16H20N2O5.
The molecular weight of 4-Methyl-3-(2,4,5-trimethoxy-3-methylphenylmethyl)-2,5-piperazinedione is 320.1372 g/mol.
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