TL;DR: RefChem:382340 (CAS 107811-20-1) is a chemical compound with molecular formula C15H26N4O3S and molecular weight 342.17258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Also Known As: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester, N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)succinamic acid 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl 4-oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoate, 2-diethylaminoethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
| Molecular Formula | C15H26N4O3S |
| Molecular Weight | 342.17258 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 342.17258 Da |
| Heavy Atoms | 23 |
| Complexity | 378.0 |
| SMILES | CCN(CC)CCOC(=O)CCC(=O)NC1=NN=C(S1)C(C)C |
| InChIKey | BXUFTUOIOLHFFU-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:382340. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:382340. Following Lipinski's Rule of Five, RefChem:382340 has 1 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 RefChem:382340 is 107811-20-1.
The molecular formula of RefChem:382340 is C15H26N4O3S.
The molecular weight of RefChem:382340 is 342.17258 g/mol.
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