5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
TL;DR: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 311796-96-0) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione, A1570/0068453, 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3,4-dimethoxyphenyl)-2-(4-morpholinylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(3,4-dimethoxyphenyl)-1-(morpholinomethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.37719 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 1026.1506 |
Chemical Identifiers
| CAS Number | 311796-96-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4)OC |
Product Overview
5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 311796-96-0), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Property Insights of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
The XLogP value of 3.37719 indicates that 5-(3,4-dimethoxyphenyl)-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 53.68 Ų, 5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione has 0 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The CAS number of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is 311796-96-0.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular formula of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is C21H24N4O3S.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular weight of 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione is 412.16 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
You can request a quote for 5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-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.