TL;DR: 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 1217657-94-7) is a chemical compound with molecular formula C26H18N2O6 and molecular weight 454.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(1,3-benzodioxol-5-yl)-11-(furan-2-carbonyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, 10-(1,3-benzodioxol-5-yl)-8-(furan-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C26H18N2O6 |
| Molecular Weight | 454.1165 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.1165 Da |
| Heavy Atoms | 34 |
| Complexity | 921.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=CC=CO7 |
| InChIKey | TUQLARBEMWMAES-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. Following Lipinski's Rule of Five, 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 1217657-94-7.
The molecular formula of 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C26H18N2O6.
The molecular weight of 10-(1,3-Benzodioxol-5-yl)-8-(2-furanylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 454.1165 g/mol.
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