![{4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate structure](/static/products/125/125338-11-6.webp)
{4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate
TL;DR: {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate (CAS 125338-11-6) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetate
Also Known As: AJ-333/15478007, (4-phenylacetylamino-4H-1,2,4-triazolio-1)acetate, {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate, 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetate, 4-[(alpha-Oxophenethyl)amino]-4H-1,2,4-triazol-1-ium-1-acetate
Technical Specifications
| Molecular Formula | C12H12N4O3 |
| Molecular Weight | 260.09094 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09094 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)N[N+]2=CN(N=C2)CC(=O)[O-] |
| InChIKey | CXOWCUGFOKCQKZ-UHFFFAOYSA-N |
Chemical Property Profile of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate
Property Insights of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate. Following Lipinski's Rule of Five, {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate?
The CAS number of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate is 125338-11-6.
What is the molecular formula of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate?
The molecular formula of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate is C12H12N4O3.
What is the molecular weight of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate?
The molecular weight of {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate is 260.09094 g/mol.
Where can I buy {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate?
You can request a quote for {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate?
Yes, CoreyChem provides custom synthesis services for {4-[(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium-1-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.