TL;DR: RefChem:387806 (CAS 100650-64-4) is a chemical compound with molecular formula C11H18N4O2 and molecular weight 238.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-propan-2-yl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)urea
Also Known As: N-(1-Methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)urea, 4-(N-Isopropylcarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-pyrano(3,4-d)imidazole, Urea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-, 1-propan-2-yl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)urea, N-Propan-2-yl-N'-[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]carbamimidic acid
| Molecular Formula | C11H18N4O2 |
| Molecular Weight | 238.14297 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.14297 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | CC(C)NC(=O)NCC1C2=C(CCO1)NC=N2 |
| InChIKey | ONDXXYMONVSBFK-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that RefChem:387806 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387806. Following Lipinski's Rule of Five, RefChem:387806 has 3 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 RefChem:387806 is 100650-64-4.
The molecular formula of RefChem:387806 is C11H18N4O2.
The molecular weight of RefChem:387806 is 238.14297 g/mol.
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