![5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/7167/7167-39-7.webp)
5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 7167-39-7) is a chemical compound with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 5-{3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-2H-1,2,4-triazole-3-thione, 5-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}-4-(3-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C23H20BrN3O3S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 5.95559 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.0409 |
| Heavy Atoms | 31 |
| Complexity | 1251.664 |
Chemical Identifiers
| CAS Number | 7167-39-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=CC=C3)OC)COC4=CC=C(C=C4)Br |
Product Overview
5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 7167-39-7), with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol. IUPAC: 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.95559 indicates that 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 7167-39-7.
What is the molecular formula of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C23H20BrN3O3S.
What is the molecular weight of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 497.04 g/mol.
Where can I buy 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-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 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.