TL;DR: Boc-3-(3-quinolyl)-DL-Ala-OH (CAS 135101-19-8) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
Also Known As: Boc-3-(3-quinolyl)-DL-Ala-OH, Boc-3-(3-quinolyl)-DL-alanine, HY-W141845, a-(Boc-amino)-3-quinolinepropanoic acid, BOC-3-(3'-QUINOLYL)-L-ALANINE
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC2=CC=CC=C2N=C1)C(=O)O |
| InChIKey | ZJIPRFVJGMPMPL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-3-(3-quinolyl)-DL-Ala-OH. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-3-(3-quinolyl)-DL-Ala-OH. Following Lipinski's Rule of Five, Boc-3-(3-quinolyl)-DL-Ala-OH 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 Boc-3-(3-quinolyl)-DL-Ala-OH is 135101-19-8.
The molecular formula of Boc-3-(3-quinolyl)-DL-Ala-OH is C17H20N2O4.
The molecular weight of Boc-3-(3-quinolyl)-DL-Ala-OH is 316.1423 g/mol.
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