TL;DR: Pentamidine analog (CAS 108517-93-7) is a chemical compound with molecular formula C24H30N4O4 and molecular weight 438.2267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
Also Known As: Pentamidine analog, N-(4-isoxazolyl)acetamide, 1,4-Bis[4-(imidazolin-2-yl)-2-methoxyphenoxy]butane, 2,2'-(1,4-Butanediylbis(oxy(3-methoxy-4,1-phenylene)))bis(4,5-dihydro)-1H-imidazole, 2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
| Molecular Formula | C24H30N4O4 |
| Molecular Weight | 438.2267 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.2267 Da |
| Heavy Atoms | 32 |
| Complexity | 589.0 |
| SMILES | COC1=C(C=CC(=C1)C2=NCCN2)OCCCCOC3=C(C=C(C=C3)C4=NCCN4)OC |
| InChIKey | DSPLSDBZEFMCOH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamidine analog. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamidine analog. Following Lipinski's Rule of Five, Pentamidine analog has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pentamidine analog is 108517-93-7.
The molecular formula of Pentamidine analog is C24H30N4O4.
The molecular weight of Pentamidine analog is 438.2267 g/mol.
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