TL;DR: 3-Acridin-9-ylalanine (CAS 62978-39-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acridin-9-yl-2-aminopropanoic acid
Also Known As: 3-acridin-9-ylalanine, beta-(9-Acridyl)-alpha-alanine, 3-(Acridin-9-yl)alanine, alpha-Amino-9-acridinepropanoic acid, 3-acridin-9-yl-2-aminopropanoic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.10553 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10553 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC(C(=O)O)N |
| InChIKey | TVENYZXWOKGGHI-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acridin-9-ylalanine. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acridin-9-ylalanine. Following Lipinski's Rule of Five, 3-Acridin-9-ylalanine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Acridin-9-ylalanine is 62978-39-6.
The molecular formula of 3-Acridin-9-ylalanine is C16H14N2O2.
The molecular weight of 3-Acridin-9-ylalanine is 266.10553 g/mol.
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