![2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/7178/717894-33-2.webp)
2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 717894-33-2) is a chemical compound with molecular formula C20H21BrN4O3S and molecular weight 476.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C20H21BrN4O3S |
|---|---|
| Molecular Weight | 476.05 g/mol |
| LogP | 3.6873 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.05176 |
| Heavy Atoms | 29 |
| Complexity | 962.6151 |
Chemical Identifiers
| CAS Number | 717894-33-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br |
Product Overview
2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 717894-33-2), with molecular formula C20H21BrN4O3S and molecular weight 476.05 g/mol. IUPAC: 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 3.6873 indicates that 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 6 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-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 717894-33-2.
What is the molecular formula of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is C20H21BrN4O3S.
What is the molecular weight of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 476.05 g/mol.
Where can I buy 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[(5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.