TL;DR: (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid (CAS 113849-16-4) is a chemical compound with molecular formula C17H21ClO2 and molecular weight 292.12302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
Also Known As: CPDNA, (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid, 9-(4-Chlorophenyl)-7,7-dimethyl-5(Z),8(Z)-nonadienoic acid
| Molecular Formula | C17H21ClO2 |
| Molecular Weight | 292.12302 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.12302 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | CC(C)(/C=C\CCCC(=O)O)/C=C\C1=CC=C(C=C1)Cl |
| InChIKey | MDCBZIPHGRGTOZ-DQZMCUEZSA-N |
The XLogP value of 5.1 indicates that (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid is 113849-16-4.
The molecular formula of (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid is C17H21ClO2.
The molecular weight of (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid is 292.12302 g/mol.
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