2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 462077-23-2) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione, 1-(azepan-1-ylmethyl)-3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.91239 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 954.4519 |
Chemical Identifiers
| CAS Number | 462077-23-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCCC4 |
Product Overview
2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 462077-23-2), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.91239 indicates that 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-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 35.22 Ų, 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 0 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 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 462077-23-2.
What is the molecular formula of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C22H26N4OS.
What is the molecular weight of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 394.18 g/mol.
Where can I buy 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-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 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.