TL;DR: 5-Methylfuran-2-propionaldehyde (CAS 34756-16-6) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-methylfuran-2-yl)propanal
Also Known As: 5-Methylfuran-2-propionaldehyde, 3-(5-methylfuran-2-yl)propanal, 3-(5-Methyl-2-furyl)propionaldehyde, 2-furanpropanal, 5-methyl-, 3-(5-methyl-2-furyl)propanal
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.06808 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 Da |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
| SMILES | CC1=CC=C(O1)CCC=O |
| InChIKey | WPBUABKBDHGOAJ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylfuran-2-propionaldehyde. With a topological polar surface area (TPSA) of 30.2 Ų, 5-Methylfuran-2-propionaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylfuran-2-propionaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Methylfuran-2-propionaldehyde is 34756-16-6.
The molecular formula of 5-Methylfuran-2-propionaldehyde is C8H10O2.
The molecular weight of 5-Methylfuran-2-propionaldehyde is 138.06808 g/mol.
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