![2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide structure](/static/products/6945/694515-24-7.webp)
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
TL;DR: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide (CAS 694515-24-7) is a chemical compound with molecular formula C20H22BrN5O2S and molecular weight 475.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
Also Known As: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-bromo-2-(propan-2-yl)phenyl]acetamide
| Molecular Formula | C20H22BrN5O2S |
|---|---|
| Molecular Weight | 475.07 g/mol |
| LogP | 4.1876 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.06775 |
| Heavy Atoms | 29 |
| Complexity | 978.2578 |
Chemical Identifiers
| CAS Number | 694515-24-7 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3 |
Product Overview
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide (CAS 694515-24-7), with molecular formula C20H22BrN5O2S and molecular weight 475.07 g/mol. IUPAC: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
Property Insights of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
The XLogP value of 4.1876 indicates that 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide 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-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide 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-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The CAS number of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is 694515-24-7.
What is the molecular formula of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The molecular formula of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is C20H22BrN5O2S.
What is the molecular weight of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The molecular weight of 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is 475.07 g/mol.
Where can I buy 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
You can request a quote for 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide 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-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.