Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate
TL;DR: Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate (CAS 22278-65-5) is a chemical compound with molecular formula C7H10N4O3S and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)acetate
Also Known As: ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate, ethyl 2-(4-amino-5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)acetate, F3099-6945, ethyl 2-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)acetate, ethyl 2-(4-amino-5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)acetate
| Molecular Formula | C7H10N4O3S |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | -0.87971 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.04736 |
| Heavy Atoms | 15 |
| Complexity | 477.859 |
Chemical Identifiers
| CAS Number | 22278-65-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NNC(=S)N(C1=O)N |
Product Overview
Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate (CAS 22278-65-5), with molecular formula C7H10N4O3S and molecular weight 230.05 g/mol. IUPAC: ethyl 2-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)acetate.
Chemical Property Profile of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate
Property Insights of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate
The XLogP value of -0.87971 indicates that Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate has 2 hydrogen bond donor(s) and 6 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 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate?
The CAS number of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate is 22278-65-5.
What is the molecular formula of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate?
The molecular formula of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate is C7H10N4O3S.
What is the molecular weight of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate?
The molecular weight of Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate is 230.05 g/mol.
Where can I buy Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate?
You can request a quote for Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-amino-5-oxo-3-sulfanyl-1,2,4-triazin-6-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.