2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione (CAS 54649-08-0) is a chemical compound with molecular formula C16H20N4S and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-4-butyl-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-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-, 4-butyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl), 4-Butyl-5-[(2-methyl-1H-indol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H20N4S |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 4.12131 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.14087 |
| Heavy Atoms | 21 |
| Complexity | 809.1515 |
Chemical Identifiers
| CAS Number | 54649-08-0 |
|---|---|
| SMILES | CCCCN1C(=NNC1=S)CC2=C(NC3=CC=CC=C32)C |
Product Overview
2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione (CAS 54649-08-0), with molecular formula C16H20N4S and molecular weight 300.14 g/mol. IUPAC: 4-butyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 4.12131 indicates that 2,4-Dihydro-4-butyl-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 49.4 Ų, 2,4-Dihydro-4-butyl-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-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 2 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-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is 54649-08-0.
What is the molecular formula of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is C16H20N4S.
What is the molecular weight of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-butyl-5-((2-methyl-1H-indol-3-yl)methyl)-3H-1,2,4-triazole-3-thione is 300.14 g/mol.
Where can I buy 2,4-Dihydro-4-butyl-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-butyl-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-butyl-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-butyl-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.