2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 896852-68-9) is a chemical compound with molecular formula C22H18Cl2N4O3S and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chlorophenyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide, N-(3-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-tria zol-3-ylthio)}acetamide
| Molecular Formula | C22H18Cl2N4O3S |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 5.536 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.04767 |
| Heavy Atoms | 32 |
| Complexity | 1180.3763 |
Chemical Identifiers
| CAS Number | 896852-68-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 896852-68-9), with molecular formula C22H18Cl2N4O3S and molecular weight 488.05 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
The XLogP value of 5.536 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is 896852-68-9.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is C22H18Cl2N4O3S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is 488.05 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.