5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
TL;DR: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione (CAS 893764-32-4) is a chemical compound with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Also Known As: A4081/0173942, 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione, 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(4-ETHOXYPHENYL)-4-ETHYL-1-(9H-XANTHEN-9-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C25H23N3O2S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 6.24309 |
| Topological Polar Surface Area | 41.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1511 |
| Heavy Atoms | 31 |
| Complexity | 1245.3726 |
Chemical Identifiers
| CAS Number | 893764-32-4 |
|---|---|
| SMILES | CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=C(C=C5)OCC |
Product Overview
5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione (CAS 893764-32-4), with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol. IUPAC: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Property Insights of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
The XLogP value of 6.24309 indicates that 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.21 Ų, 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The CAS number of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is 893764-32-4.
What is the molecular formula of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The molecular formula of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is C25H23N3O2S.
What is the molecular weight of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The molecular weight of 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is 429.15 g/mol.
Where can I buy 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
You can request a quote for 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.