5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol
TL;DR: 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol (CAS 899723-05-8) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(INDOL-3-YLMETHYL)-4-BENZYL-1,2,4-TRIAZOLE-3-THIOL, 4-benzyl-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-[(1H-indol-3-yl)methyl]-4H-1,2,4-triazole-3-thiol, 5-((1H-Indol-3-yl)methyl)-4-benzyl-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 4.06109 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 994.4738 |
Chemical Identifiers
| CAS Number | 899723-05-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)CC3=CNC4=CC=CC=C43 |
Product Overview
5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol (CAS 899723-05-8), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 4-benzyl-3-(1H-indol-3-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol
Property Insights of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol
The XLogP value of 4.06109 indicates that 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol 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 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol?
The CAS number of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol is 899723-05-8.
What is the molecular formula of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol?
The molecular formula of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol is C18H16N4S.
What is the molecular weight of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol?
The molecular weight of 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol is 320.11 g/mol.
Where can I buy 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol?
You can request a quote for 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Indol-3-ylmethyl)-4-benzyl-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.