TL;DR: DMP-728 free base (CAS 153345-74-5) is a chemical compound with molecular formula C25H36N8O7 and molecular weight 560.2707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S,11S,14R)-11-[3-(diaminomethylideneamino)propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid
Also Known As: DMP-728 free base, XL 118, Cyclo((2R)-2-aminobutanoyl-N2-methyl-L-arginylglycyl-L-alpha-aspartyl-3-(aminomethyl)benzoyl), CYCLO((2R)-2-AMINOBUTANOYL-N2-METHYL-L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-3-(AMINOMETHYL)BENZOYL), A8024Y4460
| Molecular Formula | C25H36N8O7 |
| Molecular Weight | 560.2707 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.2707 Da |
| Heavy Atoms | 40 |
| Complexity | 984.0 |
| SMILES | CC[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC(=CC=C2)C(=O)N1)CC(=O)O)CCCN=C(N)N)C |
| InChIKey | JWRYVLUXFOYZCH-SQNIBIBYSA-N |
The XLogP value of -2.0 indicates that DMP-728 free base is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting DMP-728 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DMP-728 free base has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DMP-728 free base is 153345-74-5.
The molecular formula of DMP-728 free base is C25H36N8O7.
The molecular weight of DMP-728 free base is 560.2707 g/mol.
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