TL;DR: Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester (CAS 85120-52-1) is a chemical compound with molecular formula C22H28N2O6 and molecular weight 416.19473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetate
Also Known As: J1.318.403H, GLYCINE, N,N'-1,2-ETHANEDIYLBIS(N-((2-HYDROXYPHENYL)METHYL)-, DIMETHYL ESTER, N,N'-1,2-Ethanediylbis(N-((2-hydroxyphenyl)methyl)glycine) dimethyl ester, N,N -Ethylenebis[N-(2-hydroxybenzyl)glycine methyl] ester, methyl 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetate
| Molecular Formula | C22H28N2O6 |
| Molecular Weight | 416.19473 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 416.19473 Da |
| Heavy Atoms | 30 |
| Complexity | 486.0 |
| SMILES | COC(=O)CN(CCN(CC1=CC=CC=C1O)CC(=O)OC)CC2=CC=CC=C2O |
| InChIKey | ACHBABDQYBLQLC-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester. Following Lipinski's Rule of Five, Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester is 85120-52-1.
The molecular formula of Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester is C22H28N2O6.
The molecular weight of Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester is 416.19473 g/mol.
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