![4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/7233/723332-61-4.webp)
4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 723332-61-4) is a chemical compound with molecular formula C18H18ClN3O2S and molecular weight 375.08 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-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-4-methylphenyl)-5-(4-ethoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H18ClN3O2S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 4.86941 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0808 |
| Heavy Atoms | 25 |
| Complexity | 918.8158 |
Chemical Identifiers
| CAS Number | 723332-61-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC(=C(C=C3)C)Cl |
Product Overview
4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 723332-61-4), with molecular formula C18H18ClN3O2S and molecular weight 375.08 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.86941 indicates that 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)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-ethoxyphenoxy)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-ethoxyphenoxy)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-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 723332-61-4.
What is the molecular formula of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C18H18ClN3O2S.
What is the molecular weight of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 375.08 g/mol.
Where can I buy 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)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-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-methylphenyl)-5-[(4-ethoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.