3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
TL;DR: 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine (CAS 578750-07-9) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: SALOR-INT L466255-1EA, 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-((4-METHOXYBENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE, 3-[(4-methoxybenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.9856 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 918.60187 |
Chemical Identifiers
| CAS Number | 578750-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine (CAS 578750-07-9), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
Property Insights of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
The XLogP value of 2.9856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine. Following Lipinski's Rule of Five, 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine has 1 hydrogen bond donor(s) and 8 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 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The CAS number of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is 578750-07-9.
What is the molecular formula of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The molecular formula of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is C19H22N4O4S.
What is the molecular weight of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The molecular weight of 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is 402.14 g/mol.
Where can I buy 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
You can request a quote for 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methoxybenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.