TL;DR: N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide (CAS 112317-18-7) is a chemical compound with molecular formula C14H8Cl3NO3 and molecular weight 342.95697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide
Also Known As: N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide, N-(3,7,8-trichlorooxanthren-2-yl)acetamide, Acetamide, N-(3,7,8-trichlorodibenzo(b,e)(1,4)dioxin-2-yl)-, N-(3,7,8-Trichlorodibenzo(b,e)(1,4)dioxin-2-yl)acetamide
| Molecular Formula | C14H8Cl3NO3 |
| Molecular Weight | 342.95697 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.95697 Da |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
| SMILES | CC(=O)NC1=CC2=C(C=C1Cl)OC3=CC(=C(C=C3O2)Cl)Cl |
| InChIKey | CUTYVKNXQSIACC-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide has 1 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 N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide is 112317-18-7.
The molecular formula of N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide is C14H8Cl3NO3.
The molecular weight of N-(3,7,8-trichlorodibenzo-p-dioxin-2-yl)acetamide is 342.95697 g/mol.
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