TL;DR: 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- (CAS 111253-97-5) is a chemical compound with molecular formula C25H40ClN3O2 and molecular weight 449.2809 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[1-(4-chloro-3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Also Known As: 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)-, 5-(1-(4-Chloro-3-pentadecylphenoxy)ethyl)-1,3,4-oxadiazol-2-amine, 5-[1-(4-chloro-3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine, 5-[1-(4-Chloro-3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-, 1,3,4-Oxadiazol-2-amine,5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)
| Molecular Formula | C25H40ClN3O2 |
| Molecular Weight | 449.2809 g/mol |
| XLogP | 9.8 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 449.2809 Da |
| Heavy Atoms | 31 |
| Complexity | 443.0 |
| SMILES | CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(C)C2=NN=C(O2)N)Cl |
| InChIKey | ZVJLMALANQLMCD-UHFFFAOYSA-N |
The XLogP value of 9.8 indicates that 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- is 111253-97-5.
The molecular formula of 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- is C25H40ClN3O2.
The molecular weight of 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-pentadecylphenoxy)ethyl)- is 449.2809 g/mol.
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