TL;DR: Ontazolast (CAS 147432-77-7) is a chemical compound with molecular formula C21H25N3O and molecular weight 335.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
Also Known As: Ontazolast, ontazolastum, Birm 270, Ontazolast [USAN:INN], BIRM270
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H25N3O |
| Molecular Weight | 335.19977 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.19977 Da |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=N2)N[C@@H](CC3CCCCC3)C4=CC=CC=N4 |
| InChIKey | RVXKHAITGKBBAC-SFHVURJKSA-N |
The XLogP value of 6.0 indicates that Ontazolast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, Ontazolast exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ontazolast has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ontazolast is 147432-77-7.
The molecular formula of Ontazolast is C21H25N3O.
The molecular weight of Ontazolast is 335.19977 g/mol.
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