4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391917-72-9) is a chemical compound with molecular formula C29H30N4O3S and molecular weight 514.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, F0507-2075, 4-tert-butyl-N-{[4-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide
| Molecular Formula | C29H30N4O3S |
|---|---|
| Molecular Weight | 514.20 g/mol |
| LogP | 5.4784 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.20386 |
| Heavy Atoms | 37 |
| Complexity | 1376.5396 |
Chemical Identifiers
| CAS Number | 391917-72-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4 |
Product Overview
4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391917-72-9), with molecular formula C29H30N4O3S and molecular weight 514.20 g/mol. IUPAC: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 5.4784 indicates that 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-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 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide 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 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 391917-72-9.
What is the molecular formula of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is C29H30N4O3S.
What is the molecular weight of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 514.20 g/mol.
Where can I buy 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-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-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.