![N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide structure](/static/products/6938/693813-30-8.webp)
N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
TL;DR: N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide (CAS 693813-30-8) is a chemical compound with molecular formula C30H31N5O2S2 and molecular weight 557.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
Also Known As: N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide, N-[1-[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
| Molecular Formula | C30H31N5O2S2 |
|---|---|
| Molecular Weight | 557.19 g/mol |
| LogP | 6.65512 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.1919 |
| Heavy Atoms | 39 |
| Complexity | 1453.9908 |
Chemical Identifiers
| CAS Number | 693813-30-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(C(C)C)NC(=O)C5=CC=C(C=C5)C |
Product Overview
N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide (CAS 693813-30-8), with molecular formula C30H31N5O2S2 and molecular weight 557.19 g/mol. IUPAC: N-[1-[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide.
Chemical Property Profile of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
Property Insights of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
The XLogP value of 6.65512 indicates that N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The CAS number of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is 693813-30-8.
What is the molecular formula of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The molecular formula of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is C30H31N5O2S2.
What is the molecular weight of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The molecular weight of N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is 557.19 g/mol.
Where can I buy N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
You can request a quote for N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.