![N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide structure](/static/products/7186/718601-51-5.webp)
N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
TL;DR: N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (CAS 718601-51-5) is a chemical compound with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide, N-[[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C28H27N5O3S2 |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 5.0871 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.1555 |
| Heavy Atoms | 38 |
| Complexity | 1409.6368 |
Chemical Identifiers
| CAS Number | 718601-51-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)CC5=CC=C(C=C5)OC |
Product Overview
N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (CAS 718601-51-5), with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol. IUPAC: N-[[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
Property Insights of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
The XLogP value of 5.0871 indicates that N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The CAS number of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is 718601-51-5.
What is the molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is C28H27N5O3S2.
What is the molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is 545.16 g/mol.
Where can I buy N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
You can request a quote for N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.