TL;DR: Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]- (CAS 141332-96-9) is a chemical compound with molecular formula C12H12F4N2O4 and molecular weight 324.07333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[2-[3,4-bis(difluoromethoxy)phenyl]ethyl]oxamide
Also Known As: Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]-, N-[2-[3,4-bis(difluoromethoxy)phenyl]ethyl]oxamide, N'-[2-[3,4-bis(difluoromethoxy)phenyl]ethyl]oxamide, Ethanediamide,[2-[3,4-bis(difluoromethoxy)phenyl]ethyl], N~1~-{2-[3,4-Bis(difluoromethoxy)phenyl]ethyl}ethanediamide
| Molecular Formula | C12H12F4N2O4 |
| Molecular Weight | 324.07333 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.07333 Da |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
| SMILES | C1=CC(=C(C=C1CCNC(=O)C(=O)N)OC(F)F)OC(F)F |
| InChIKey | MSMOZSVBEHEDPB-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]-. Following Lipinski's Rule of Five, Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]- is 141332-96-9.
The molecular formula of Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]- is C12H12F4N2O4.
The molecular weight of Ethanediamide, [2-[3,4-bis(difluoromethoxy)phenyl]ethyl]- is 324.07333 g/mol.
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