TL;DR: N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide (CAS 124578-04-7) is a chemical compound with molecular formula C28H35Cl2NO4 and molecular weight 519.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide
Also Known As: (5Z)-N-(3,5-Dichloro-4-hydroxyphenyl)-5-{5-hydroxy-4-[(1E)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]hexahydro-2(1H)-pentalenylidene}pentanamide
| Molecular Formula | C28H35Cl2NO4 |
| Molecular Weight | 519.19434 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.19434 Da |
| Heavy Atoms | 35 |
| Complexity | 834.0 |
| SMILES | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)NC3=CC(=C(C(=C3)Cl)O)Cl)C2)O)O |
| InChIKey | BFTTYAJXQKONFL-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide. Following Lipinski's Rule of Five, N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide is 124578-04-7.
The molecular formula of N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide is C28H35Cl2NO4.
The molecular weight of N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-(3-hydroxy-4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide is 519.19434 g/mol.
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