TL;DR: Arohynapene B (CAS 154445-09-7) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
Also Known As: Arohynapene B, Arohynapene-B, (2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid, 5-(2-Hydroxymethyl-6,8-dimethyl-5,6,7,8-tetrahydronaphthalene)-2,4-pentadienoic acid, 2,4-Pentadienoic acid, 5-(5,6,7,8-tetrahydro-2-(hydroxymethyl)-6,8-dimethyl-1-naphthalenyl)-
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.1569 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.1569 Da |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
| SMILES | CC1CC(C2=C(C1)C=CC(=C2/C=C/C=C/C(=O)O)CO)C |
| InChIKey | XVNDJROXVPBPBY-GGWOSOGESA-N |
The XLogP value of 3.6 indicates that Arohynapene B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Arohynapene B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arohynapene B has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Arohynapene B is 154445-09-7.
The molecular formula of Arohynapene B is C18H22O3.
The molecular weight of Arohynapene B is 286.1569 g/mol.
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