TL;DR: Benfuracarb (CAS 82560-54-1) is a chemical compound with molecular formula C20H30N2O5S and molecular weight 410.18753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate
Also Known As: Benfuracarb, Aminofuracarb, Oncol, Furacon, Oncol 5G
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H30N2O5S |
| Molecular Weight | 410.18753 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.18753 Da |
| Heavy Atoms | 28 |
| Complexity | 543.0 |
| SMILES | CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | FYZBOYWSHKHDMT-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Benfuracarb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benfuracarb. Following Lipinski's Rule of Five, Benfuracarb 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 Benfuracarb is 82560-54-1.
The molecular formula of Benfuracarb is C20H30N2O5S.
The molecular weight of Benfuracarb is 410.18753 g/mol.
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