4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 895845-79-1) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, AO-022/43453221, 4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-indanyl-5-(4-pyridyl)-1,2,4-triazole-3-thiol, A4002/0170606
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.53829 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 834.7382 |
Chemical Identifiers
| CAS Number | 895845-79-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C1N3C(=NNC3=S)C4=CC=NC=C4 |
Product Overview
4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 895845-79-1), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.53829 indicates that 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-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 46.5 Ų, 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione has 1 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 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 895845-79-1.
What is the molecular formula of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is C16H14N4S.
What is the molecular weight of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 294.09 g/mol.
Where can I buy 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-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-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.