![N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/4930/493024-06-9.webp)
N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 493024-06-9) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Also Known As: N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 3.35012 |
| Topological Polar Surface Area | 121.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1084.0647 |
Chemical Identifiers
| CAS Number | 493024-06-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 493024-06-9), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: 2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 3.35012 indicates that N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-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 121.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 8 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-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 493024-06-9.
What is the molecular formula of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C20H21N5O5S.
What is the molecular weight of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 443.13 g/mol.
Where can I buy N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-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-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-nitro-4-methylphenyl}-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.