TL;DR: Guabenxan (CAS 19889-45-3) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
Also Known As: Guabenxan, Guabenxane, Guabenxanum, Guabenxano, guabenzodioxan
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H13N3O2 |
| Molecular Weight | 207.10077 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.10077 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)CN=C(N)N |
| InChIKey | WTDYJDLUNYALPM-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guabenxan. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Guabenxan. Following Lipinski's Rule of Five, Guabenxan has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guabenxan is 19889-45-3.
The molecular formula of Guabenxan is C10H13N3O2.
The molecular weight of Guabenxan is 207.10077 g/mol.
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