![2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide structure](/static/products/2161/216169-17-4.webp)
2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide
TL;DR: 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide (CAS 216169-17-4) is a chemical compound with molecular formula C27H31N5OS2 and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N-phenyloctanethioamide
Also Known As: 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide, J1.012.332A, 2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N-phenyloctanethioamide, 2-[5-ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide, N-Phenyl-4-ethoxy-5-[1-(phenylthiocarbamoyl)heptyl]-7H-1,3,3a-triaza-6-thia-3aH-indene-7-imine
| Molecular Formula | C27H31N5OS2 |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 6.9154 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.197 |
| Heavy Atoms | 35 |
| Complexity | 1301.6632 |
Chemical Identifiers
| CAS Number | 216169-17-4 |
|---|---|
| SMILES | CCCCCCC(C1=C(N2C(=NC=N2)C(=NC3=CC=CC=C3)S1)OCC)C(=S)NC4=CC=CC=C4 |
Product Overview
2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide (CAS 216169-17-4), with molecular formula C27H31N5OS2 and molecular weight 505.20 g/mol. IUPAC: 2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N-phenyloctanethioamide.
Chemical Property Profile of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide
Property Insights of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide
The XLogP value of 6.9154 indicates that 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide. Following Lipinski's Rule of Five, 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide 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 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide?
The CAS number of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide is 216169-17-4.
What is the molecular formula of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide?
The molecular formula of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide is C27H31N5OS2.
What is the molecular weight of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide?
The molecular weight of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide is 505.20 g/mol.
Where can I buy 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide?
You can request a quote for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.