TL;DR: Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal (CAS 100967-19-9) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxypentanal
Also Known As: Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal, 4-(p-Aminophenoxy)butyraldehyde diethyl acetal, M & B 3933, 3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxypentanal, 4-13-00-01030 (Beilstein Handbook Reference)
| Molecular Formula | C14H21NO4 |
| Molecular Weight | 267.14706 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.14706 Da |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
| SMILES | CCC(CC)(COC1=CC=C(C=C1)N)C(C=O)(O)O |
| InChIKey | LWDBPNKSEBPGMU-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal. Following Lipinski's Rule of Five, Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal has 3 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 Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal is 100967-19-9.
The molecular formula of Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal is C14H21NO4.
The molecular weight of Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal is 267.14706 g/mol.
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