![4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/7233/723332-63-6.webp)
4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 723332-63-6) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-(3-Chloro-4-methylphenyl)-5-((4-methoxyphenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-(3-chloro-4-methyl-phenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-(3-chloro-4-methylphenyl)-5-(4-methoxyphenoxymethyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C17H16ClN3O2S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 4.47931 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.0652 |
| Heavy Atoms | 24 |
| Complexity | 902.9443 |
Chemical Identifiers
| CAS Number | 723332-63-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)OC)Cl |
Product Overview
4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 723332-63-6), with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.47931 indicates that 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol 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 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 723332-63-6.
What is the molecular formula of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C17H16ClN3O2S.
What is the molecular weight of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 361.07 g/mol.
Where can I buy 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.