![3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione structure](/static/products/828/828290-32-0.png)
3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 828290-32-0) is a chemical compound with molecular formula C23H20BrN3O2S and molecular weight 481.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione, 5-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-2H-1,2,4-triazole-3-thione, 5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 5-{4-[(2-BROMOPHENOXY)METHYL]PHENYL}-4-(2-ETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C23H20BrN3O2S |
|---|---|
| Molecular Weight | 481.05 g/mol |
| LogP | 6.33709 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.04596 |
| Heavy Atoms | 30 |
| Complexity | 1201.5563 |
Chemical Identifiers
| CAS Number | 828290-32-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)COC4=CC=CC=C4Br |
Product Overview
3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 828290-32-0), with molecular formula C23H20BrN3O2S and molecular weight 481.05 g/mol. IUPAC: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 6.33709 indicates that 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-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, 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione is 828290-32-0.
What is the molecular formula of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione is C23H20BrN3O2S.
What is the molecular weight of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione is 481.05 g/mol.
Where can I buy 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.