3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide
TL;DR: 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide (CAS 400080-22-0) is a chemical compound with molecular formula C10H8Cl2N4O2 and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
Also Known As: 3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-5-carboxamide, 3-(2,4-dichlorophenoxymethyl)-1H-1,2,4-triazole-5-carboxamide, 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide, 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide, 998-080-3
| Molecular Formula | C10H8Cl2N4O2 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 1.7894 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.00244 |
| Heavy Atoms | 18 |
| Complexity | 585.0067 |
Chemical Identifiers
| CAS Number | 400080-22-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=NN2)C(=O)N |
Product Overview
3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide (CAS 400080-22-0), with molecular formula C10H8Cl2N4O2 and molecular weight 286.00 g/mol. IUPAC: 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide
Property Insights of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide
The XLogP value of 1.7894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide. Following Lipinski's Rule of Five, 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide has 2 hydrogen bond donor(s) and 4 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 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide?
The CAS number of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide is 400080-22-0.
What is the molecular formula of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular formula of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide is C10H8Cl2N4O2.
What is the molecular weight of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular weight of 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide is 286.00 g/mol.
Where can I buy 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide?
You can request a quote for 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.