N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 896597-81-2) is a chemical compound with molecular formula C20H16F2N4O2S2 and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,4-difluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,4-difluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H16F2N4O2S2 |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 4.5807 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.06827 |
| Heavy Atoms | 30 |
| Complexity | 1128.111 |
Chemical Identifiers
| CAS Number | 896597-81-2 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)F)F)CC4=CC=CS4 |
Product Overview
N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 896597-81-2), with molecular formula C20H16F2N4O2S2 and molecular weight 446.07 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.5807 indicates that N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 896597-81-2.
What is the molecular formula of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C20H16F2N4O2S2.
What is the molecular weight of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 446.07 g/mol.
Where can I buy N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-difluorophenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.