TL;DR: 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine (CAS 152459-95-5) is a chemical compound with molecular formula C12H31N7 and molecular weight 273.2641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine
Also Known As: Imatinib, 2-[4-amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine, 2-[4-amino-5-({3-[(3-aminopropyl)amino]propyl}amino)pentyl]guanidine, N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
| Molecular Formula | C12H31N7 |
| Molecular Weight | 273.2641 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 273.2641 Da |
| Heavy Atoms | 19 |
| Complexity | 216.0 |
| SMILES | C(CC(CNCCCNCCCN)N)CN=C(N)N |
| InChIKey | NEFHYROACNTRNJ-UHFFFAOYSA-N |
The XLogP value of -2.6 indicates that 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine is 152459-95-5.
The molecular formula of 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine is C12H31N7.
The molecular weight of 2-[4-Amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine is 273.2641 g/mol.
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