1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid (CAS 338398-22-4) is a chemical compound with molecular formula C10H7Cl2N3O2 and molecular weight 270.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
Also Known As: 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid, 1-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic Acid, 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylicacid, 889-400-1, RefChem:420560
| Molecular Formula | C10H7Cl2N3O2 |
|---|---|
| Molecular Weight | 270.99 g/mol |
| LogP | 2.58072 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.99155 |
| Heavy Atoms | 17 |
| Complexity | 595.2321 |
Chemical Identifiers
| CAS Number | 338398-22-4 |
|---|---|
| SMILES | CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)O |
Product Overview
1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid (CAS 338398-22-4), with molecular formula C10H7Cl2N3O2 and molecular weight 270.99 g/mol. IUPAC: 1-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 2.58072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid is 338398-22-4.
What is the molecular formula of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid is C10H7Cl2N3O2.
What is the molecular weight of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid is 270.99 g/mol.
Where can I buy 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-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-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.