2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 899391-37-8) is a chemical compound with molecular formula C20H19N5O4S3 and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C20H19N5O4S3 |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 2.9499 |
| Topological Polar Surface Area | 133.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.0599 |
| Heavy Atoms | 32 |
| Complexity | 1281.731 |
Chemical Identifiers
| CAS Number | 899391-37-8 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)CC4=CC=CS4 |
Product Overview
2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 899391-37-8), with molecular formula C20H19N5O4S3 and molecular weight 489.06 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 2.9499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide. The TPSA of 133.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide has 2 hydrogen bond donor(s) and 8 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 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The CAS number of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 899391-37-8.
What is the molecular formula of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular formula of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is C20H19N5O4S3.
What is the molecular weight of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular weight of 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 489.06 g/mol.
Where can I buy 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
You can request a quote for 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.