TL;DR: 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CAS 799830-12-9) is a chemical compound with molecular formula C18H13BrN2O3 and molecular weight 384.01096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Also Known As: 3-(4-bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione, 2-(4-bromophenyl)-8-phenyl-4-oxa-3,8-diazaspiro[4.4]non-2-ene-7,9-dione
| Molecular Formula | C18H13BrN2O3 |
| Molecular Weight | 384.01096 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.01096 Da |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
| SMILES | C1C(=NOC12CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br |
| InChIKey | RKMKHWDSMVHZRG-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione. With a topological polar surface area (TPSA) of 59.0 Ų, 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has 0 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 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is 799830-12-9.
The molecular formula of 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is C18H13BrN2O3.
The molecular weight of 3-(4-Bromophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is 384.01096 g/mol.
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