TL;DR: 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- (CAS 117554-48-0) is a chemical compound with molecular formula C24H36Cl3N3O2 and molecular weight 503.18732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,4,6-trichloro-3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Also Known As: 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)-, 5-((2,4,6-Trichloro-3-pentadecylphenoxy)methyl)-1,3,4-oxadiazol-2-amine, 5-[(2,4,6-trichloro-3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine, BRN 5169119
| Molecular Formula | C24H36Cl3N3O2 |
| Molecular Weight | 503.18732 g/mol |
| XLogP | 10.6 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 503.18732 Da |
| Heavy Atoms | 32 |
| Complexity | 478.0 |
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OCC2=NN=C(O2)N)Cl |
| InChIKey | RHFPXOYAGCZAGN-UHFFFAOYSA-N |
The XLogP value of 10.6 indicates that 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- 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-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- 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-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- is 117554-48-0.
The molecular formula of 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- is C24H36Cl3N3O2.
The molecular weight of 1,3,4-Oxadiazol-2-amine, 5-((2,4,6-trichloro-3-pentadecylphenoxy)methyl)- is 503.18732 g/mol.
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