TL;DR: Herboxidiene (CAS 142861-00-5) is a chemical compound with molecular formula C25H42O6 and molecular weight 438.29813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
Also Known As: Herboxidiene, Herboxidine, GEX1A compound, (+)-Herboxidiene, GEX 1A
| Molecular Formula | C25H42O6 |
| Molecular Weight | 438.29813 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.29813 Da |
| Heavy Atoms | 31 |
| Complexity | 658.0 |
| SMILES | C[C@H]1CC[C@@H](O[C@@H]1/C(=C/C=C/[C@@H](C)C[C@@]2([C@H](O2)[C@H](C)[C@H]([C@@H](C)O)OC)C)/C)CC(=O)O |
| InChIKey | ISZXEMUWHQLLTC-LSIVYLFASA-N |
The XLogP value of 4.1 indicates that Herboxidiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Herboxidiene. Following Lipinski's Rule of Five, Herboxidiene has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Herboxidiene is 142861-00-5.
The molecular formula of Herboxidiene is C25H42O6.
The molecular weight of Herboxidiene is 438.29813 g/mol.
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