TL;DR: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 844860-24-8) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione, 6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
| Molecular Formula | C22H19N3O4 |
| Molecular Weight | 389.13754 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.13754 Da |
| Heavy Atoms | 29 |
| Complexity | 652.0 |
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5 |
| InChIKey | RFEPHGQROOCOAT-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. Following Lipinski's Rule of Five, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 844860-24-8.
The molecular formula of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C22H19N3O4.
The molecular weight of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 389.13754 g/mol.
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