![2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid structure](/static/products/1116/111698-93-2.webp)
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
TL;DR: 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid (CAS 111698-93-2) is a chemical compound with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
Also Known As: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid, N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]glycine, [3-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-propionylamino]-acetic acid, 2-(3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)acetic acid, 2-[3-(10-oxo-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-9-yl)propanoylamino]acetic Acid
| Molecular Formula | C12H12N4O4 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | -0.6176 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.08585 |
| Heavy Atoms | 20 |
| Complexity | 709.9147 |
Chemical Identifiers
| CAS Number | 111698-93-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC(=O)O |
Product Overview
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid (CAS 111698-93-2), with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol. IUPAC: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid.
Chemical Property Profile of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
Property Insights of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
The XLogP value of -0.6176 indicates that 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid. Following Lipinski's Rule of Five, 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic 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
Frequently Asked Questions
What is the CAS number of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid?
The CAS number of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid is 111698-93-2.
What is the molecular formula of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid?
The molecular formula of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid is C12H12N4O4.
What is the molecular weight of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid?
The molecular weight of 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid is 276.09 g/mol.
Where can I buy 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid?
You can request a quote for 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.