TL;DR: Diffusomycin (CAS 136360-48-0) is a chemical compound with molecular formula C35H49N3O9 and molecular weight 655.34686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(7R,8S)-8-hydroxy-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
Also Known As: Diffusomycin, Oxazolomycin, 3,3-dimethylthio-1-phenyl-2-propen-1-one, (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(7R,8S)-8-hydroxy-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide, 3-Hydroxy-N-(6-hydroxy-9-(8-hydroxy-5,7-dimethyl-1,6-dioxo-2-oxa-5-azaspiro(3.4)oct-8-yl)-9-methoxy-7-methyl-2,4-nonadienyl)-2,2,4-trimethyl-10-(5-oxazolyl)-4,6,8-decatrienamide
| Molecular Formula | C35H49N3O9 |
| Molecular Weight | 655.34686 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 655.34686 Da |
| Heavy Atoms | 47 |
| Complexity | 1270.0 |
| SMILES | C[C@H]1C(=O)N(C2([C@@]1([C@H](C[C@@H](C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C\C=C/C=C/CC3=CN=CO3)/C)O)O)OC)O)COC2=O)C |
| InChIKey | ZZNSFVQRQDZGGX-KXXCBVSKSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diffusomycin. The TPSA of 172.0 Ų indicates high polarity, suggesting Diffusomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diffusomycin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Diffusomycin is 136360-48-0.
The molecular formula of Diffusomycin is C35H49N3O9.
The molecular weight of Diffusomycin is 655.34686 g/mol.
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