2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione (CAS 107952-07-8) is a chemical compound with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-3-[(2-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione, 3-Bromo-4-chloro-benzoic acid methyl ester, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-, 4-(3-chlorophenyl)-3-[(2-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-t riazole-3-thione
| Molecular Formula | C16H14ClN3O2S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 4.17089 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.04953 |
| Heavy Atoms | 23 |
| Complexity | 875.51196 |
Chemical Identifiers
| CAS Number | 107952-07-8 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC(=CC=C3)Cl |
Product Overview
2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione (CAS 107952-07-8), with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol. IUPAC: 4-(3-chlorophenyl)-3-[(2-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 4.17089 indicates that 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-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 52.07 Ų, 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione has 1 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 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione is 107952-07-8.
What is the molecular formula of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione is C16H14ClN3O2S.
What is the molecular weight of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione is 347.05 g/mol.
Where can I buy 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-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 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-(3-chlorophenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.