N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 848990-59-0) is a chemical compound with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,5-dimethoxyphenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,5-dimethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethoxyphenyl)-2-{4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl](1,2,4 -triazol-3-ylthio)}acetamide
| Molecular Formula | C25H26N4O5S |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 4.55482 |
| Topological Polar Surface Area | 100.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.16238 |
| Heavy Atoms | 35 |
| Complexity | 1233.3651 |
Chemical Identifiers
| CAS Number | 848990-59-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=CC(=C4)OC)OC |
Product Overview
N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 848990-59-0), with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.55482 indicates that N-(3,5-dimethoxyphenyl)-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 100.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)-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 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 N-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 848990-59-0.
What is the molecular formula of N-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C25H26N4O5S.
What is the molecular weight of N-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 494.16 g/mol.
Where can I buy N-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)-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-dimethoxyphenyl)-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-dimethoxyphenyl)-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.