TL;DR: Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- (CAS 143827-58-1) is a chemical compound with molecular formula C19H29NO5 and molecular weight 351.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]acetic acid
Also Known As: 1H-1,3,4-Benzotriazepine,2,5-diphenyl, 2-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]acetic Acid, Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]-, [2-Methoxy-4-(nonanamidomethyl)phenoxy]acetic acid, 2-[2-methoxy-4-(nonanamidomethyl)phenoxy]acetic acid
| Molecular Formula | C19H29NO5 |
| Molecular Weight | 351.20456 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 351.20456 Da |
| Heavy Atoms | 25 |
| Complexity | 388.0 |
| SMILES | CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OCC(=O)O)OC |
| InChIKey | ZYDUQNVNMISLAA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]-. Following Lipinski's Rule of Five, Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- has 2 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 Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- is 143827-58-1.
The molecular formula of Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- is C19H29NO5.
The molecular weight of Acetic acid, [2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]- is 351.20456 g/mol.
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