TL;DR: Geodiamolide E (CAS 126596-04-1) is a chemical compound with molecular formula C27H38BrN3O6 and molecular weight 579.1944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S,5R,7S,11R,13S)-2-amino-4-(3-bromo-4-hydroxyphenyl)-5-formyl-13-hydroxy-7,9,11-trimethyl-3,6-dioxotetradec-9-en-5-yl]-2-imino-N-methylacetamide
Also Known As: Geodiamolide E, Cyclo[L-alanyl-(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethyl-4-nonenoylglycyl-3-bromo-N-methyl-D-tyrosyl](9CI)
| Molecular Formula | C27H38BrN3O6 |
| Molecular Weight | 579.1944 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 579.1944 Da |
| Heavy Atoms | 37 |
| Complexity | 880.0 |
| SMILES | C[C@H](C[C@H](C)O)C=C(C)C[C@H](C)C(=O)[C@](C=O)(C(C1=CC(=C(C=C1)O)Br)C(=O)[C@H](C)N)N(C)C(=O)C=N |
| InChIKey | DWSDWLNUNCDIKV-VNNDJXKPSA-N |
The XLogP value of 3.0 indicates that Geodiamolide E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Geodiamolide E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Geodiamolide E has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Geodiamolide E is 126596-04-1.
The molecular formula of Geodiamolide E is C27H38BrN3O6.
The molecular weight of Geodiamolide E is 579.1944 g/mol.
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