TL;DR: 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione (CAS 1521-03-5) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
Also Known As: starbld0027519, 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione, Benzoquinone,2,5-bis-pyrrolidin-1yl, 2,5-bis(pyrrolidino)-1,4-benzoquinone, 2,5-dipyrrolidin-1-yl-1,4-benzoquinone
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
| SMILES | C1CCN(C1)C2=CC(=O)C(=CC2=O)N3CCCC3 |
| InChIKey | GYUIXAPAIDKHJA-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 40.6 Ų, 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-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 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione is 1521-03-5.
The molecular formula of 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione is C14H18N2O2.
The molecular weight of 2,5-Bis(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione is 246.13683 g/mol.
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