TL;DR: RefChem:1083110 (CAS 102504-38-1) is a chemical compound with molecular formula C13H19ClN3O- and molecular weight 268.12167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-N-[(2-phenyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]ethanamine chloride
Also Known As: delta(sup 4)-1,2,4-Oxadiazoline, 5-((diethylamino)methyl)-3-phenyl-, hydrochloride, 5-((Diethylamino)methyl)-3-phenyl-delta(sup 4)-1,2,4-oxadiazoline hydrochloride, DELTA(SUP 4)-1,2,4-OXADIAZOLINE, 5-((DIETHYLAMINO)METHYL)-3-PHENYL-, H YDROCHLORIDE, N-ethyl-N-[(2-phenyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]ethanamine chloride, N-ethyl-N-[(2-phenyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]ethanamine;chloride
| Molecular Formula | C13H19ClN3O- |
| Molecular Weight | 268.12167 g/mol |
| XLogP | -1.04 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.12167 Da |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
| SMILES | CCN(CC)CC1=NNC(O1)C2=CC=CC=C2.[Cl-] |
| InChIKey | FKBRJRKUIFKYLG-UHFFFAOYSA-M |
The XLogP value of -1.04 indicates that RefChem:1083110 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, RefChem:1083110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083110 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1083110 is 102504-38-1.
The molecular formula of RefChem:1083110 is C13H19ClN3O-.
The molecular weight of RefChem:1083110 is 268.12167 g/mol.
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