1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 898097-76-2) is a chemical compound with molecular formula C12H9ClN6O3S and molecular weight 352.01 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-chlorophenyl)sulfanylmethyl]triazole-4-carboxylic acid
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]triazole-4-carboxylic Acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C12H9ClN6O3S |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 1.8764 |
| Topological Polar Surface Area | 132.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.01453 |
| Heavy Atoms | 23 |
| Complexity | 846.86053 |
Chemical Identifiers
| CAS Number | 898097-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)O)Cl |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 898097-76-2), with molecular formula C12H9ClN6O3S and molecular weight 352.01 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]triazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.8764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 132.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)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-(((4-chlorophenyl)thio)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-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid is 898097-76-2.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid is C12H9ClN6O3S.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid is 352.01 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)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-(((4-chlorophenyl)thio)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-(((4-chlorophenyl)thio)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-(((4-chlorophenyl)thio)methyl)-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.