![2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide structure](/static/products/896/896166-57-7.png)
2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
TL;DR: 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide (CAS 896166-57-7) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-6-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide, 2-[[4-amino-6-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-((4-amino-6-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-{[4-amino-6-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.99072 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1049.207 |
Chemical Identifiers
| CAS Number | 896166-57-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC(=O)NC3=CC=C(C=C3)OC |
Product Overview
2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide (CAS 896166-57-7), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 2-[[4-amino-6-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Property Insights of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
The XLogP value of 1.99072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide has 2 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-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide is 896166-57-7.
What is the molecular formula of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide is C20H21N5O3S.
What is the molecular weight of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide is 411.14 g/mol.
Where can I buy 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)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-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-amino-6-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.