![2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide structure](/static/products/6932/693234-35-4.webp)
2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
TL;DR: 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide (CAS 693234-35-4) is a chemical compound with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide, 2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
| Molecular Formula | C23H27N5O3S |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 2.6521 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.18347 |
| Heavy Atoms | 32 |
| Complexity | 1037.5453 |
Chemical Identifiers
| CAS Number | 693234-35-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide (CAS 693234-35-4), with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide.
Chemical Property Profile of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
Property Insights of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
The XLogP value of 2.6521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}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 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide?
The CAS number of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide is 693234-35-4.
What is the molecular formula of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide?
The molecular formula of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide is C23H27N5O3S.
What is the molecular weight of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide?
The molecular weight of 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide is 453.18 g/mol.
Where can I buy 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide?
You can request a quote for 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.