1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 879576-93-9) is a chemical compound with molecular formula C15H15N7O3 and molecular weight 341.12 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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
| Molecular Formula | C15H15N7O3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 0.489 |
| Topological Polar Surface Area | 136.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.12363 |
| Heavy Atoms | 25 |
| Complexity | 932.86035 |
Chemical Identifiers
| CAS Number | 879576-93-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)O |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 879576-93-9), with molecular formula C15H15N7O3 and molecular weight 341.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 0.489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 136.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-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-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid is 879576-93-9.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid is C15H15N7O3.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid is 341.12 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-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-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-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-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.