![4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/7378/737807-25-9.webp)
4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol (CAS 737807-25-9) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(7-methoxy-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: BB 0217164, 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol, 4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-(7-methoxy-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione, 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1, 2,4]triazole-3-thiol
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 3.38239 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 784.6318 |
Chemical Identifiers
| CAS Number | 737807-25-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC3=C(O2)C(=CC=C3)OC |
Product Overview
4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol (CAS 737807-25-9), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 4-ethyl-3-(7-methoxy-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.38239 indicates that 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol is 737807-25-9.
What is the molecular formula of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol is C13H13N3O2S.
What is the molecular weight of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol is 275.07 g/mol.
Where can I buy 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-5-(7-methoxy-benzofuran-2-yl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.