TL;DR: 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine (CAS 152662-90-3) is a chemical compound with molecular formula C14H20Cl3N5O2 and molecular weight 395.06827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-carbamimidoyl-2-propan-2-yl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine
Also Known As: Imidodicarbonimidicdiamide, N-(1-methylethyl)-N'-[3-(2,4,5-trichlorophenoxy)propoxy]-, 1-carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine, 1-carbamimidoyl-2-propan-2-yl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine, N-[3-(2,4,5-Trichlorophenoxy)propoxy]-N'-(1-methylethyl)imidodicarbonimide diamide
| Molecular Formula | C14H20Cl3N5O2 |
| Molecular Weight | 395.06827 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.06827 Da |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
| SMILES | CC(C)N=C(N)N(C(=N)N)OCCCOC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | QWGHFUIMJPYILV-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine. Following Lipinski's Rule of Five, 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine has 3 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 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine is 152662-90-3.
The molecular formula of 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine is C14H20Cl3N5O2.
The molecular weight of 1-Carbamimidoyl-3-isopropyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]guanidine is 395.06827 g/mol.
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