TL;DR: Palmitoyl rhizoxin (CAS 135819-69-1) is a chemical compound with molecular formula C51H77NO10 and molecular weight 863.55475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-6,19-dioxo-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-en-10-yl] hexadecanoate
Also Known As: Palmitoyl rhizoxin, [(14E)-8-[(4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-6,19-dioxo-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-en-10-yl] hexadecanoate
| Molecular Formula | C51H77NO10 |
| Molecular Weight | 863.55475 g/mol |
| XLogP | 13.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 863.55475 Da |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1CC(OC(=O)C2C(O2)CC3CC(C(C=CC4C1(O4)C)C)OC(=O)C3)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC |
| InChIKey | ZFYKZAKRJRNXGF-UHFFFAOYSA-N |
The XLogP value of 13.4 indicates that Palmitoyl rhizoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Palmitoyl rhizoxin. Following Lipinski's Rule of Five, Palmitoyl rhizoxin has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Palmitoyl rhizoxin is 135819-69-1.
The molecular formula of Palmitoyl rhizoxin is C51H77NO10.
The molecular weight of Palmitoyl rhizoxin is 863.55475 g/mol.
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