1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
TL;DR: 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide (CAS 904812-45-9) is a chemical compound with molecular formula C18H17FN4O and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
Also Known As: 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide, [1-(3,4-dimethylphenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(2-fluorophenyl)carbox amide, 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H17FN4O |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 3.58396 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.13864 |
| Heavy Atoms | 24 |
| Complexity | 917.13226 |
Chemical Identifiers
| CAS Number | 904812-45-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC=C3F)C)C |
Product Overview
1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide (CAS 904812-45-9), with molecular formula C18H17FN4O and molecular weight 324.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
Property Insights of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
The XLogP value of 3.58396 indicates that 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide 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-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The CAS number of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is 904812-45-9.
What is the molecular formula of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The molecular formula of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is C18H17FN4O.
What is the molecular weight of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The molecular weight of 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is 324.14 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
You can request a quote for 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-5-methyltriazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.