TL;DR: Tryptophan, octyl ester (CAS 77521-33-6) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl 2-amino-3-(1H-indol-3-yl)propanoate
Also Known As: Octyl tryptophanate, Tryptophan, octyl ester, octyl 2-amino-3-(1H-indol-3-yl)propanoate, J3.804.321H, TOE
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H28N2O2 |
| Molecular Weight | 316.2151 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 316.2151 Da |
| Heavy Atoms | 23 |
| Complexity | 348.0 |
| SMILES | CCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)N |
| InChIKey | LEYORBXXAFPSGY-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Tryptophan, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tryptophan, octyl ester. Following Lipinski's Rule of Five, Tryptophan, octyl ester has 2 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 Tryptophan, octyl ester is 77521-33-6.
The molecular formula of Tryptophan, octyl ester is C19H28N2O2.
The molecular weight of Tryptophan, octyl ester is 316.2151 g/mol.
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