![2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide structure](/static/products/5779/577987-34-9.webp)
2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide
TL;DR: 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide (CAS 577987-34-9) is a chemical compound with molecular formula C17H16BrN5O2S and molecular weight 433.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
Also Known As: 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide, 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide, 2-((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-bromophenyl)acetamide, 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
| Molecular Formula | C17H16BrN5O2S |
|---|---|
| Molecular Weight | 433.02 g/mol |
| LogP | 3.1608 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.0208 |
| Heavy Atoms | 26 |
| Complexity | 931.0216 |
Chemical Identifiers
| CAS Number | 577987-34-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br |
Product Overview
2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide (CAS 577987-34-9), with molecular formula C17H16BrN5O2S and molecular weight 433.02 g/mol. IUPAC: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide
Property Insights of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide
The XLogP value of 3.1608 indicates that 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide has 2 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-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide?
The CAS number of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide is 577987-34-9.
What is the molecular formula of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide?
The molecular formula of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide is C17H16BrN5O2S.
What is the molecular weight of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide?
The molecular weight of 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide is 433.02 g/mol.
Where can I buy 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide?
You can request a quote for 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)aceta mide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.