![Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate structure](/static/products/869/869068-46-2.png)
Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate (CAS 869068-46-2) is a chemical compound with molecular formula C14H15N5O4S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F1847-0173, ethyl 4-{2-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate, ethyl 4-(2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl p-{[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-ylthio)methyl]carbonylamino}benzoate
| Molecular Formula | C14H15N5O4S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 0.2596 |
| Topological Polar Surface Area | 129.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.08447 |
| Heavy Atoms | 24 |
| Complexity | 790.49695 |
Chemical Identifiers
| CAS Number | 869068-46-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N |
Product Overview
Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate (CAS 869068-46-2), with molecular formula C14H15N5O4S and molecular weight 349.08 g/mol. IUPAC: ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
The XLogP value of 0.2596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate. The TPSA of 129.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate has 2 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 Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate is 869068-46-2.
What is the molecular formula of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate is C14H15N5O4S.
What is the molecular weight of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate is 349.08 g/mol.
Where can I buy Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.