2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 861644-70-4) is a chemical compound with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide, 2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-{4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-(4 -sulfamoylphenyl)acetamide
| Molecular Formula | C23H23N5O5S2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 3.18502 |
| Topological Polar Surface Area | 142.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.1141 |
| Heavy Atoms | 35 |
| Complexity | 1383.3469 |
Chemical Identifiers
| CAS Number | 861644-70-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 861644-70-4), with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 3.18502 indicates that 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.34 Ų indicates high polarity, suggesting 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The CAS number of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 861644-70-4.
What is the molecular formula of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular formula of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is C23H23N5O5S2.
What is the molecular weight of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular weight of 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 513.11 g/mol.
Where can I buy 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
You can request a quote for 2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-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-((p-tolyloxy)methyl)-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-((p-tolyloxy)methyl)-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.