TL;DR: Benzoxazole, 5-chloro-2-(2-phenylethyl)- (CAS 144037-39-8) is a chemical compound with molecular formula C15H12ClNO and molecular weight 257.06073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-(2-phenylethyl)-1,3-benzoxazole
Also Known As: Benzoxazole, 5-chloro-2-(2-phenylethyl)-, 2-Phenethyl-5-chlorobenzoxazole, 5-chloro-2-phenethyl-1,3-benzoxazole, 5-chloro-2-(2-phenylethyl)-1,3-benzoxazole, 5-chloro-2-phenylethylbenzo[d]oxazole
| Molecular Formula | C15H12ClNO |
| Molecular Weight | 257.06073 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06073 Da |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
| SMILES | C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | AVBIFDFYSNAAHE-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Benzoxazole, 5-chloro-2-(2-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 5-chloro-2-(2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-(2-phenylethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoxazole, 5-chloro-2-(2-phenylethyl)- is 144037-39-8.
The molecular formula of Benzoxazole, 5-chloro-2-(2-phenylethyl)- is C15H12ClNO.
The molecular weight of Benzoxazole, 5-chloro-2-(2-phenylethyl)- is 257.06073 g/mol.
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