![2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide structure](/static/products/6932/693232-84-7.webp)
2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
TL;DR: 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide (CAS 693232-84-7) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide, 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.34152 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1036.9438 |
Chemical Identifiers
| CAS Number | 693232-84-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide (CAS 693232-84-7), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Property Insights of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
The XLogP value of 3.34152 indicates that 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)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 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The CAS number of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is 693232-84-7.
What is the molecular formula of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is C19H19N5O4S.
What is the molecular weight of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is 413.12 g/mol.
Where can I buy 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)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-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.