4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 674297-44-0) is a chemical compound with molecular formula C18H15BrN4S and molecular weight 398.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-((1H-indol-3-yl)methyl)-4-(2-bromo-4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 4-(2-bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2-BROMO-4-METHYLPHENYL)-5-(1H-INDOL-3-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C18H15BrN4S |
|---|---|
| Molecular Weight | 398.02 g/mol |
| LogP | 5.07291 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.02008 |
| Heavy Atoms | 24 |
| Complexity | 1089.7935 |
Chemical Identifiers
| CAS Number | 674297-44-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CNC4=CC=CC=C43)Br |
Product Overview
4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 674297-44-0), with molecular formula C18H15BrN4S and molecular weight 398.02 g/mol. IUPAC: 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 5.07291 indicates that 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-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, 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione is 674297-44-0.
What is the molecular formula of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione is C18H15BrN4S.
What is the molecular weight of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione is 398.02 g/mol.
Where can I buy 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-bromo-4-methylphenyl)-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.