TL;DR: Caulibugulone E (CAS 662167-19-3) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Caulibugulone E
5-amino-7-methyliminoisoquinolin-8-one
Also Known As: Caulibugulone E, UPCMLD00WCaulibugE, 5-amino-7-methyliminoisoquinolin-8-one, 5-imino-7-(methylamino)isoquinolin-8(5H)-one, J2.007.140K
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.07455 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.07455 Da |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
| SMILES | CN=C1C=C(C2=C(C1=O)C=NC=C2)N |
| InChIKey | DWAVIPRVWSUPLT-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that Caulibugulone E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Caulibugulone E. Following Lipinski's Rule of Five, Caulibugulone E 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 Caulibugulone E is 662167-19-3.
The molecular formula of Caulibugulone E is C10H9N3O.
The molecular weight of Caulibugulone E is 187.07455 g/mol.
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