TL;DR: Dioa (CAS 106105-17-3) is a chemical compound with molecular formula C20H24Cl2O4 and molecular weight 398.10516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
Also Known As: Dioa, Dioa-acid, R(+)-Butylindazone, dihydroindenyl-oxyalkanoic acid, R-(+)-DIOA
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H24Cl2O4 |
| Molecular Weight | 398.10516 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.10516 Da |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
| SMILES | CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 |
| InChIKey | YAWWQIFONIPBKT-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Dioa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioa. Following Lipinski's Rule of Five, Dioa has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dioa is 106105-17-3.
The molecular formula of Dioa is C20H24Cl2O4.
The molecular weight of Dioa is 398.10516 g/mol.
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