TL;DR: 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CAS 874395-86-5) is a chemical compound with molecular formula C23H16Cl2N2O4 and molecular weight 454.0487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methylisoxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methylisoxazol-3-yl)chromeno[2,3-c]3- pyrroline-3,9-dione
| Molecular Formula | C23H16Cl2N2O4 |
| Molecular Weight | 454.0487 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.0487 Da |
| Heavy Atoms | 31 |
| Complexity | 804.0 |
| SMILES | CC1=CC2=C(C=C1C)OC3=C(C2=O)C(N(C3=O)C4=NOC(=C4)C)C5=CC(=C(C=C5)Cl)Cl |
| InChIKey | QRDQOYUONCGFQV-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 874395-86-5.
The molecular formula of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C23H16Cl2N2O4.
The molecular weight of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 454.0487 g/mol.
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