TL;DR: Dpmmabg (CAS 931398-72-0) is a chemical compound with molecular formula C20H22N6O6 and molecular weight 442.1601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: Dpmmabg, Pyrimidine analogue, IOX2, furo[2,3d]pyrimidine antifolate, Glycine, N-[[1,2-dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]-
| Molecular Formula | C20H22N6O6 |
| Molecular Weight | 442.1601 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.1601 Da |
| Heavy Atoms | 32 |
| Complexity | 687.0 |
| SMILES | CN(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | WXINNGCGSCFUCR-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dpmmabg. The TPSA of 198.0 Ų indicates high polarity, suggesting Dpmmabg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dpmmabg has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dpmmabg is 931398-72-0.
The molecular formula of Dpmmabg is C20H22N6O6.
The molecular weight of Dpmmabg is 442.1601 g/mol.
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