2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione (CAS 54649-01-3) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-, 4-(2-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-(2-Methoxyphenyl)-5-[(2-methyl-1H-indol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, RefChem:282951
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.31901 |
| Topological Polar Surface Area | 58.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 1106.0154 |
Chemical Identifiers
| CAS Number | 54649-01-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C4=CC=CC=C4OC |
Product Overview
2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione (CAS 54649-01-3), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 4-(2-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 4.31901 indicates that 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-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 58.63 Ų, 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 3 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 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is 54649-01-3.
What is the molecular formula of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is C19H18N4OS.
What is the molecular weight of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is 350.12 g/mol.
Where can I buy 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-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 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.