1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 898097-18-2) is a chemical compound with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carboxylic acid
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carboxylic Acid
| Molecular Formula | C13H12N6O4 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 0.9964 |
| Topological Polar Surface Area | 142.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.092 |
| Heavy Atoms | 23 |
| Complexity | 838.52924 |
Chemical Identifiers
| CAS Number | 898097-18-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 898097-18-2), with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 0.9964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 142.18 Ų indicates high polarity, suggesting 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 8 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 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid is 898097-18-2.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid is C13H12N6O4.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid is 316.09 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.