TL;DR: Ehhpoh (CAS 113704-34-0) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-7-[(1R,2S,4R,5S,6S,7R)-7-[(E,3R)-3-hydroxy-5-(4-hydroxyphenyl)pent-1-enyl]-3,8-dioxatricyclo[3.2.1.02,4]octan-6-yl]hept-5-enoic acid
Also Known As: Ehhpoh, (Z)-7-[(1R,2S,4R,5S,6S,7R)-7-[(E,3R)-3-hydroxy-5-(4-hydroxyphenyl)pent-1-enyl]-3,8-dioxatricyclo[3.2.1.02,4]octan-6-yl]hept-5-enoic acid, 7-(5,6-epoxy-3-(3-hydroxy-5-(4-hydroxyphenyl)-1-pentenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-5-heptenoic, 7-(5,6-Epoxy-3-(3-hydroxy-5-(4-hydroxyphenyl)-1-pentenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-5-heptenoic acid, 5-Heptenoic acid,7-[7-[3-hydroxy-5-(4-hydroxyphenyl)-1-pentenyl]-3,8-dioxatricyclo[3.2.1.02,4]oct-6-yl]-,[1a,2b,4b,5a,6a(Z),7a(1E,3R*)]-(9CI)
| Molecular Formula | C24H30O6 |
| Molecular Weight | 414.20422 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.20422 Da |
| Heavy Atoms | 30 |
| Complexity | 638.0 |
| SMILES | C1=CC(=CC=C1CC[C@H](/C=C/[C@@H]2[C@@H]([C@H]3[C@@H]4[C@H]([C@@H]2O3)O4)C/C=C\CCCC(=O)O)O)O |
| InChIKey | NJABDNZVADRMNM-UNFINRCHSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ehhpoh. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ehhpoh. Following Lipinski's Rule of Five, Ehhpoh has 3 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 Ehhpoh is 113704-34-0.
The molecular formula of Ehhpoh is C24H30O6.
The molecular weight of Ehhpoh is 414.20422 g/mol.
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