N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861146-29-4) is a chemical compound with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-acetamido-2-methoxyphenyl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[5-(4-methylphenyl)-4-prop-2-enyl(1,2,4- triazol-3-ylthio)]acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H25N5O3S |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 4.13732 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.16782 |
| Heavy Atoms | 32 |
| Complexity | 1125.1605 |
Chemical Identifiers
| CAS Number | 861146-29-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC |
Product Overview
N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861146-29-4), with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.13732 indicates that N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 2 hydrogen bond donor(s) and 6 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-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 861146-29-4.
What is the molecular formula of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C23H25N5O3S.
What is the molecular weight of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 451.17 g/mol.
Where can I buy N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.