TL;DR: Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) (CAS 121033-21-4) is a chemical compound with molecular formula C39H44N4O13 and molecular weight 776.29047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylamino)-N-[2-[3-[2-[3-(benzylamino)propanoylamino]phenoxy]-2-hydroxypropoxy]phenyl]propanamide;oxalic acid
Also Known As: Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2), 3-(benzylamino)-N-[2-[3-[2-[3-(benzylamino)propanoylamino]phenoxy]-2-hydroxypropoxy]phenyl]propanamide; oxalic acid, Oxalic acid--N,N'-[(2-hydroxypropane-1,3-diyl)bis(oxy-2,1-phenylene)]bis[3-(benzylamino)propanamide] (2/1)
| Molecular Formula | C39H44N4O13 |
| Molecular Weight | 776.29047 g/mol |
| XLogP | 3.0533 |
| Topological Polar Surface Area (TPSA) | 270.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 776.29047 Da |
| Heavy Atoms | 56 |
| Complexity | 812.0 |
| SMILES | C1=CC=C(C=C1)CNCCC(=O)NC2=CC=CC=C2OCC(COC3=CC=CC=C3NC(=O)CCNCC4=CC=CC=C4)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | YBRNFFSRIDLPSS-UHFFFAOYSA-N |
The XLogP value of 3.0533 indicates that Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.0 Ų indicates high polarity, suggesting Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) is 121033-21-4.
The molecular formula of Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) is C39H44N4O13.
The molecular weight of Propanamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-, ethanedioate (1:2) is 776.29047 g/mol.
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