4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 462075-71-4) is a chemical compound with molecular formula C19H20N4S and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione, 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3,4-diphenyl-1-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C19H20N4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 4.12359 |
| Topological Polar Surface Area | 25.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.14087 |
| Heavy Atoms | 24 |
| Complexity | 861.3874 |
Chemical Identifiers
| CAS Number | 462075-71-4 |
|---|---|
| SMILES | C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 462075-71-4), with molecular formula C19H20N4S and molecular weight 336.14 g/mol. IUPAC: 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.12359 indicates that 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-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 25.99 Ų, 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 0 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 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 462075-71-4.
What is the molecular formula of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C19H20N4S.
What is the molecular weight of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 336.14 g/mol.
Where can I buy 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-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 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.