2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid
TL;DR: 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid (CAS 1078791-50-0) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(benzotriazol-1-yl)propanoic acid
Also Known As: 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid, 2-Amino-3-(1H-benzo[d][1,2,3]triazol-1-yl)propanoic acid, 2-amino-3-(benzotriazol-1-yl)propanoic acid, 2-amino-3-benzotriazol-1-yl-propanoic Acid, 2-amino-3-(1,2,3-benzotriazol-1-yl)propanoic acid
Technical Specifications
| Molecular Formula | C9H10N4O2 |
| Molecular Weight | 206.08037 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.08037 Da |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC(C(=O)O)N |
| InChIKey | KUSYHKJDHRKVGS-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid
Property Insights of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid
The XLogP value of -2.4 indicates that 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid?
The CAS number of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid is 1078791-50-0.
What is the molecular formula of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid?
The molecular formula of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid is C9H10N4O2.
What is the molecular weight of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid?
The molecular weight of 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid is 206.08037 g/mol.
Where can I buy 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid?
You can request a quote for 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.