![2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide structure](/static/products/6944/694484-80-5.webp)
2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
TL;DR: 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide (CAS 694484-80-5) is a chemical compound with molecular formula C21H23IN4O2S and molecular weight 522.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
Also Known As: 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide, 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
| Molecular Formula | C21H23IN4O2S |
|---|---|
| Molecular Weight | 522.06 g/mol |
| LogP | 4.82924 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.05865 |
| Heavy Atoms | 29 |
| Complexity | 1006.0962 |
Chemical Identifiers
| CAS Number | 694484-80-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)COC3=CC=CC(=C3)C |
Product Overview
2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide (CAS 694484-80-5), with molecular formula C21H23IN4O2S and molecular weight 522.06 g/mol. IUPAC: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
Chemical Property Profile of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
Property Insights of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
The XLogP value of 4.82924 indicates that 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide 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 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The CAS number of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is 694484-80-5.
What is the molecular formula of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The molecular formula of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is C21H23IN4O2S.
What is the molecular weight of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The molecular weight of 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is 522.06 g/mol.
Where can I buy 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
You can request a quote for 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)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-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodo-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.