TL;DR: 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole (CAS 125372-44-3) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1-(2-nitrobenzo[e][1]benzofuran-7-yl)pyrrole
Also Known As: 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole, 1H-Pyrrole, 2,5-dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-, 2,5-dimethyl-1-(2-nitrobenzo[e][1]benzofuran-7-yl)pyrrole, 1H-Pyrrole,2,5-dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl), 2,5-Dimethyl-1-(2-nitronaphtho[2,1-b]furan-7-yl)-1H-pyrrole
| Molecular Formula | C18H14N2O3 |
| Molecular Weight | 306.10043 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.10043 Da |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
| SMILES | CC1=CC=C(N1C2=CC3=C(C=C2)C4=C(C=C3)OC(=C4)[N+](=O)[O-])C |
| InChIKey | UDTSTDCAZAYYDQ-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole is 125372-44-3.
The molecular formula of 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole is C18H14N2O3.
The molecular weight of 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole is 306.10043 g/mol.
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