3-(2'-Quinolyl)-D-alanine
TL;DR: 3-(2'-Quinolyl)-D-alanine (CAS 161513-46-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-azaniumyl-3-quinolin-2-ylpropanoate
Also Known As: 3-(2'-Quinolyl)-D-alanine, (2S)-2-azaniumyl-3-quinolin-2-ylpropanoate, (S)-2-Amino-3-quinolin-2-yl-propionic acid
Technical Specifications
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C[C@@H](C(=O)[O-])[NH3+] |
| InChIKey | CRSSRGSNAKKNNI-JTQLQIEISA-N |
Chemical Property Profile of 3-(2'-Quinolyl)-D-alanine
Property Insights of 3-(2'-Quinolyl)-D-alanine
The XLogP value of -0.5 indicates that 3-(2'-Quinolyl)-D-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2'-Quinolyl)-D-alanine. Following Lipinski's Rule of Five, 3-(2'-Quinolyl)-D-alanine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2'-Quinolyl)-D-alanine?
The CAS number of 3-(2'-Quinolyl)-D-alanine is 161513-46-8.
What is the molecular formula of 3-(2'-Quinolyl)-D-alanine?
The molecular formula of 3-(2'-Quinolyl)-D-alanine is C12H12N2O2.
What is the molecular weight of 3-(2'-Quinolyl)-D-alanine?
The molecular weight of 3-(2'-Quinolyl)-D-alanine is 216.08987 g/mol.
Where can I buy 3-(2'-Quinolyl)-D-alanine?
You can request a quote for 3-(2'-Quinolyl)-D-alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2'-Quinolyl)-D-alanine?
Yes, CoreyChem provides custom synthesis services for 3-(2'-Quinolyl)-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.