TL;DR: Egualen (CAS 99287-30-6) is a chemical compound with molecular formula C15H18O3S and molecular weight 278.09766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-7-propan-2-ylazulene-1-sulfonic acid
Also Known As: Egualen, Azuletil, Egualene, Egualeno, Egualenum
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H18O3S |
| Molecular Weight | 278.09766 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.09766 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CCC1=CC(=C2C1=CC=CC(=C2)C(C)C)S(=O)(=O)O |
| InChIKey | NARQSHREEUXZBT-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Egualen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Egualen. Following Lipinski's Rule of Five, Egualen has 1 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 Egualen is 99287-30-6.
The molecular formula of Egualen is C15H18O3S.
The molecular weight of Egualen is 278.09766 g/mol.
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