TL;DR: 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate (CAS 1396971-90-6) is a chemical compound with molecular formula C18H13F4NO5 and molecular weight 399.073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl] 2,6-difluorobenzoate
Also Known As: 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate, 7K-907, l-Serine, N,o-bis-(2,6-difluorobenzoyl)-, methyl ester, methyl 3-(2,6-difluorobenzoyloxy)-2-[(2,6-difluorophenyl)formamido]propanoate, [2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl] 2,6-difluorobenzoate
| Molecular Formula | C18H13F4NO5 |
| Molecular Weight | 399.073 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.073 Da |
| Heavy Atoms | 28 |
| Complexity | 558.0 |
| SMILES | COC(=O)C(COC(=O)C1=C(C=CC=C1F)F)NC(=O)C2=C(C=CC=C2F)F |
| InChIKey | FKFQYFNFXJNQEB-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate. Following Lipinski's Rule of Five, 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate is 1396971-90-6.
The molecular formula of 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate is C18H13F4NO5.
The molecular weight of 2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl 2,6-difluorobenzenecarboxylate is 399.073 g/mol.
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