TL;DR: Propylbiguanide (CAS 18030-96-1) is a chemical compound with molecular formula C5H13N5 and molecular weight 143.1171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diaminomethylidene)-2-propylguanidine
Also Known As: propylbiguanide, 1-propyl-biguanide, 1-(diaminomethylidene)-2-propylguanidine
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H13N5 |
| Molecular Weight | 143.1171 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.1171 Da |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
| SMILES | CCCN=C(N)N=C(N)N |
| InChIKey | FAPXKQMFIRYKMF-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that Propylbiguanide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propylbiguanide. Following Lipinski's Rule of Five, Propylbiguanide has 3 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propylbiguanide is 18030-96-1.
The molecular formula of Propylbiguanide is C5H13N5.
The molecular weight of Propylbiguanide is 143.1171 g/mol.
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