![N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/6932/693228-58-9.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 693228-58-9) is a chemical compound with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H28N4O4S |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 3.17072 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 456.18314 |
| Heavy Atoms | 32 |
| Complexity | 1054.2257 |
Chemical Identifiers
| CAS Number | 693228-58-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 693228-58-9), with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 3.17072 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 7 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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 693228-58-9.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C23H28N4O4S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 456.18 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.