![butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate structure](/static/products/201/201406-01-1.png)
butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
TL;DR: butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate (CAS 201406-01-1) is a chemical compound with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
Also Known As: BAS 00772446, AB00078962-01, AF-399/07494051, butyl N-(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate, butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
| Molecular Formula | C9H14N4O3S |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 0.58269 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.07867 |
| Heavy Atoms | 17 |
| Complexity | 481.61957 |
Chemical Identifiers
| CAS Number | 201406-01-1 |
|---|---|
| SMILES | CCCCOC(=O)CNC1=NNC(=S)NC1=O |
Product Overview
butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate (CAS 201406-01-1), with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol. IUPAC: butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate.
Chemical Property Profile of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
Property Insights of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
The XLogP value of 0.58269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate. Following Lipinski's Rule of Five, butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate has 3 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 butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate?
The CAS number of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate is 201406-01-1.
What is the molecular formula of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate?
The molecular formula of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate is C9H14N4O3S.
What is the molecular weight of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate?
The molecular weight of butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate is 258.08 g/mol.
Where can I buy butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate?
You can request a quote for butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.