TL;DR: 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione (CAS 1221289-17-3) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
Also Known As: 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione, 5-Benzyltetrahydro-1H-furo[3,4-c]pyrrole-1,3(3aH)-dione, 5-BENZYLTETRAHYDRO-1H-FURO[3,4-C] PYRROLE-1,3(3AH)-DIONE, 5-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione, 5-benzyl-hexahydro-1H-furo[3,4-c]pyrrole-1,3-dione
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | C1C2C(CN1CC3=CC=CC=C3)C(=O)OC2=O |
| InChIKey | PMPSADXJSJCNFQ-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione has 0 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 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione is 1221289-17-3.
The molecular formula of 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione is C13H13NO3.
The molecular weight of 5-Benzyl-tetrahydro-furo[3,4-c]pyrrole-1,3-dione is 231.08954 g/mol.
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