5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
TL;DR: 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 353253-29-9) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: BAS 00527670, BIM-0020602.P001, 5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione, 5-(4-methoxyphenyl)-2-(4-morpholinylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.36859 |
| Topological Polar Surface Area | 44.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 944.3631 |
Chemical Identifiers
| CAS Number | 353253-29-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4 |
Product Overview
5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 353253-29-9), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Property Insights of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
The XLogP value of 3.36859 indicates that 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-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 44.45 Ų, 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione has 0 hydrogen bond donor(s) and 5 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 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The CAS number of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is 353253-29-9.
What is the molecular formula of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular formula of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is C20H22N4O2S.
What is the molecular weight of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular weight of 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is 382.15 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
You can request a quote for 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-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-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.