4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 476447-87-7) is a chemical compound with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, F0528-0507, 4-methoxy-N-[(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]benzamide, 4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]benzamide, 4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 5.06012 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1223.1309 |
Chemical Identifiers
| CAS Number | 476447-87-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 476447-87-7), with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol. IUPAC: 4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 5.06012 indicates that 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 476447-87-7.
What is the molecular formula of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C27H28N4O2S.
What is the molecular weight of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 472.19 g/mol.
Where can I buy 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-((5-((3-methylbenzyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.