![N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide structure](/static/products/5779/577981-32-9.webp)
N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide
TL;DR: N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide (CAS 577981-32-9) is a chemical compound with molecular formula C21H22N6O3S and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide, N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-acetamido-2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H22N6O3S |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 3.2239 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.1474 |
| Heavy Atoms | 31 |
| Complexity | 1083.974 |
Chemical Identifiers
| CAS Number | 577981-32-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 |
Product Overview
N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide (CAS 577981-32-9), with molecular formula C21H22N6O3S and molecular weight 438.15 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide
Property Insights of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide
The XLogP value of 3.2239 indicates that N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide. Following Lipinski's Rule of Five, N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide 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 N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide?
The CAS number of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide is 577981-32-9.
What is the molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide?
The molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide is C21H22N6O3S.
What is the molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide?
The molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide is 438.15 g/mol.
Where can I buy N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide?
You can request a quote for N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triaz ol-3-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.