3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
TL;DR: 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide (CAS 338391-91-6) is a chemical compound with molecular formula C11H13N5OS and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide
Also Known As: 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide, 3-amino-N-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide, 3-amino-5-methylsulfanyl-N-(p-tolyl)-1,2,4-triazole-4-carboxamide, 3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamide, 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-1,2,4-triazole-4-carboxamide
| Molecular Formula | C11H13N5OS |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.97082 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.08408 |
| Heavy Atoms | 18 |
| Complexity | 563.31256 |
Chemical Identifiers
| CAS Number | 338391-91-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)N2C(=NN=C2SC)N |
Product Overview
3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide (CAS 338391-91-6), with molecular formula C11H13N5OS and molecular weight 263.08 g/mol. IUPAC: 3-amino-N-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazole-4-carboxamide.
Chemical Property Profile of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
Property Insights of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
The XLogP value of 1.97082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide. Following Lipinski's Rule of Five, 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide has 2 hydrogen bond donor(s) and 5 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-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide?
The CAS number of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide is 338391-91-6.
What is the molecular formula of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide?
The molecular formula of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide is C11H13N5OS.
What is the molecular weight of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide?
The molecular weight of 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide is 263.08 g/mol.
Where can I buy 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide?
You can request a quote for 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.