TL;DR: Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- (CAS 85045-34-7) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[3-(3H-diazirin-3-yl)phenoxy]nonanoic acid
Also Known As: omega-(Diazirinophenoxy)nonanoic acid, Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]-, 9-[3-(3H-diazirin-3-yl)phenoxy]nonanoic acid, Nonanoic acid,9-[3-(3H-diazirin-3-yl)phenoxy]
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | 290.16306 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 290.16306 Da |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
| SMILES | C1=CC(=CC(=C1)OCCCCCCCCC(=O)O)C2N=N2 |
| InChIKey | ALAZLSDACNWZOI-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]-. Following Lipinski's Rule of Five, Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- is 85045-34-7.
The molecular formula of Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- is C16H22N2O3.
The molecular weight of Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- is 290.16306 g/mol.
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