2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid
TL;DR: 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid (CAS 125453-16-9) is a chemical compound with molecular formula C10H10N4O3 and molecular weight 234.07529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-2-(benzotriazol-1-yl)acetic acid
Also Known As: starbld0048803, 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid, 2-acetamido-2-(benzotriazol-1-yl)acetic acid, 2-acetamido-2-benzotriazol-1-yl-acetic Acid, 2-Acetamido-2-(1H-benzo[d][1,2,3]triazol-1-yl)acetic acid
Technical Specifications
| Molecular Formula | C10H10N4O3 |
| Molecular Weight | 234.07529 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.07529 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | CC(=O)NC(C(=O)O)N1C2=CC=CC=C2N=N1 |
| InChIKey | YFWNURHVQXDFPM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid
Property Insights of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid. Following Lipinski's Rule of Five, 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic 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-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid?
The CAS number of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid is 125453-16-9.
What is the molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid?
The molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid is C10H10N4O3.
What is the molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid?
The molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid is 234.07529 g/mol.
Where can I buy 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid?
You can request a quote for 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.