5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide
TL;DR: 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide (CAS 878735-44-5) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide
Also Known As: BAS 12972881, 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide, F3126-1563, 5-methyl-N-(2-(methylthio)phenyl)-1-phenyl-1H-1,2,3-triazole-4-carboxamide, 5-methyl-N-[2-(methylsulfanyl)phenyl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C17H16N4OS |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.54992 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.1045 |
| Heavy Atoms | 23 |
| Complexity | 829.61957 |
Chemical Identifiers
| CAS Number | 878735-44-5 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3SC |
Product Overview
5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide (CAS 878735-44-5), with molecular formula C17H16N4OS and molecular weight 324.10 g/mol. IUPAC: 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide.
Chemical Property Profile of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide
Property Insights of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide
The XLogP value of 3.54992 indicates that 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-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, 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide has 1 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 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide?
The CAS number of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide is 878735-44-5.
What is the molecular formula of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide?
The molecular formula of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide is C17H16N4OS.
What is the molecular weight of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide?
The molecular weight of 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide is 324.10 g/mol.
Where can I buy 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide?
You can request a quote for 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-N-(2-methylsulfanylphenyl)-1-phenyltriazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.