5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 92516-07-9) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BRD-K18327908-001-01-3, 5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione, 5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazole-3-thiol, 3-[(4-methoxyanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-((4-METHOXYANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.55059 |
| Topological Polar Surface Area | 54.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 793.01807 |
Chemical Identifiers
| CAS Number | 92516-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 92516-07-9), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 3-[(4-methoxyanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.55059 indicates that 5-((4-Methoxyanilino)methyl)-4-phenyl-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 54.87 Ų, 5-((4-Methoxyanilino)methyl)-4-phenyl-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-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 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-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 92516-07-9.
What is the molecular formula of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C16H16N4OS.
What is the molecular weight of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 312.10 g/mol.
Where can I buy 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-((4-Methoxyanilino)methyl)-4-phenyl-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-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Methoxyanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.