![4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide structure](/static/products/896/896839-27-3.png)
4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide
TL;DR: 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide (CAS 896839-27-3) is a chemical compound with molecular formula C25H23N5O4S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide, 4-(2-((4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C25H23N5O4S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 3.6846 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.14706 |
| Heavy Atoms | 35 |
| Complexity | 1291.954 |
Chemical Identifiers
| CAS Number | 896839-27-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)COC4=CC=CC=C4 |
Product Overview
4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide (CAS 896839-27-3), with molecular formula C25H23N5O4S and molecular weight 489.15 g/mol. IUPAC: 4-[[2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide
Property Insights of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide
The XLogP value of 3.6846 indicates that 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide. Following Lipinski's Rule of Five, 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide has 2 hydrogen bond donor(s) and 7 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 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide?
The CAS number of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide is 896839-27-3.
What is the molecular formula of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide?
The molecular formula of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide is C25H23N5O4S.
What is the molecular weight of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide?
The molecular weight of 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide is 489.15 g/mol.
Where can I buy 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide?
You can request a quote for 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetylamino }benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.