TL;DR: 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione (CAS 10385-36-1) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione
Also Known As: 3-[(2-methyl-1h-indol-3-yl)methyl]dihydrofuran-2,5-dione, 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)CC3CC(=O)OC3=O |
| InChIKey | WOWUGBAHYGWNEQ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione. With a topological polar surface area (TPSA) of 59.2 Ų, 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione has 1 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 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione is 10385-36-1.
The molecular formula of 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione is C14H13NO3.
The molecular weight of 3-[(2-methyl-1H-indol-3-yl)methyl]oxolane-2,5-dione is 243.08954 g/mol.
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