N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 848931-94-2) is a chemical compound with molecular formula C23H20Cl2N4O3S and molecular weight 502.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,5-dichlorophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3,5-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,5-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dichlorophenyl)-2-{4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl](1,2,4- triazol-3-ylthio)}acetamide
| Molecular Formula | C23H20Cl2N4O3S |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 5.84442 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.06332 |
| Heavy Atoms | 33 |
| Complexity | 1206.9998 |
Chemical Identifiers
| CAS Number | 848931-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=CC(=C4)Cl)Cl |
Product Overview
N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 848931-94-2), with molecular formula C23H20Cl2N4O3S and molecular weight 502.06 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.84442 indicates that N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-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 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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 N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 848931-94-2.
What is the molecular formula of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C23H20Cl2N4O3S.
What is the molecular weight of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 502.06 g/mol.
Where can I buy N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-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-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.