![2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide structure](/static/products/6932/693230-40-9.webp)
2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
TL;DR: 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide (CAS 693230-40-9) is a chemical compound with molecular formula C23H27FN4O2S and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
Also Known As: 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide, 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
| Molecular Formula | C23H27FN4O2S |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 5.17872 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.18387 |
| Heavy Atoms | 31 |
| Complexity | 1034.5558 |
Chemical Identifiers
| CAS Number | 693230-40-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)F)C)COC3=CC=C(C=C3)C(C)C |
Product Overview
2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide (CAS 693230-40-9), with molecular formula C23H27FN4O2S and molecular weight 442.18 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide.
Chemical Property Profile of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
Property Insights of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
The XLogP value of 5.17872 indicates that 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-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-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-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-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide?
The CAS number of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide is 693230-40-9.
What is the molecular formula of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide?
The molecular formula of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide is C23H27FN4O2S.
What is the molecular weight of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide?
The molecular weight of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide is 442.18 g/mol.
Where can I buy 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide?
You can request a quote for 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-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-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.