5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 340974-14-3) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione, 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-2-(1-pyrrolidinylmethyl)-3H-1,2,4-triazole-3-thione, 5-(Phenoxymethyl)-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.03559 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 898.56555 |
Chemical Identifiers
| CAS Number | 340974-14-3 |
|---|---|
| SMILES | C1CCN(C1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 340974-14-3), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.03559 indicates that 5-(phenoxymethyl)-4-phenyl-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 35.22 Ų, 5-(phenoxymethyl)-4-phenyl-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, 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 0 hydrogen bond donor(s) and 4 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-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 340974-14-3.
What is the molecular formula of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C20H22N4OS.
What is the molecular weight of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 366.15 g/mol.
Where can I buy 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(phenoxymethyl)-4-phenyl-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 5-(phenoxymethyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(phenoxymethyl)-4-phenyl-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.