TL;DR: U 93631 (CAS 152273-12-6) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate
Also Known As: U 93631, 4-methyl-chlorocatecholborane, U-93631, EX-A1160, tert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate
| Molecular Formula | C17H21N3O2 |
| Molecular Weight | 299.1634 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.1634 Da |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
| SMILES | CC1(C2=C(N=CN2C3=CC=CC=C3N1)C(=O)OC(C)(C)C)C |
| InChIKey | NXBSEJKZKXIYMD-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that U 93631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, U 93631 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, U 93631 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of U 93631 is 152273-12-6.
The molecular formula of U 93631 is C17H21N3O2.
The molecular weight of U 93631 is 299.1634 g/mol.
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