TL;DR: but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine (CAS 110011-37-5) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine
Also Known As: Ethanamine, N,N-dimethyl-2,2-diphenoxy-, (E)-2-butenedioate
| Molecular Formula | C20H23NO6 |
| Molecular Weight | 373.15253 g/mol |
| XLogP | 2.7439 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.15253 Da |
| Heavy Atoms | 27 |
| Complexity | 332.0 |
| SMILES | CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
| InChIKey | CSQUJXBMSDQIKM-UHFFFAOYSA-N |
The XLogP value of 2.7439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine. Following Lipinski's Rule of Five, but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine is 110011-37-5.
The molecular formula of but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine is C20H23NO6.
The molecular weight of but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine is 373.15253 g/mol.
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