![4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide structure](/static/products/899/899398-85-7.png)
4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide
TL;DR: 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide (CAS 899398-85-7) is a chemical compound with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide, 4-(2-((4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C23H20N6O3S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 3.1676 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.13177 |
| Heavy Atoms | 33 |
| Complexity | 1257.8685 |
Chemical Identifiers
| CAS Number | 899398-85-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=N4 |
Product Overview
4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide (CAS 899398-85-7), with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol. IUPAC: 4-[[2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide
Property Insights of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide
The XLogP value of 3.1676 indicates that 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide. Following Lipinski's Rule of Five, 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide 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-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide?
The CAS number of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide is 899398-85-7.
What is the molecular formula of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide?
The molecular formula of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide is C23H20N6O3S.
What is the molecular weight of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide?
The molecular weight of 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide is 460.13 g/mol.
Where can I buy 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide?
You can request a quote for 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide 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-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.