![ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate structure](/static/products/846/84608-08-2.png)
ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
TL;DR: ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate (CAS 84608-08-2) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
Also Known As: ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate, Ethyl 4-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate, BUTANOIC ACID,4-[(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)THIO]-,ETHYL ESTER
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 84608-08-2 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NNC(=O)NC1=O |
| InChIKey | VQVWLSNHEAZFBA-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate (CAS 84608-08-2), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate.
Chemical Property Profile of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
Property Insights of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate. Following Lipinski's Rule of Five, ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate 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 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate?
The CAS number of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate is 84608-08-2.
What is the molecular formula of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate?
The molecular formula of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate is C9H13N3O4S.
What is the molecular weight of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate?
The molecular weight of ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate is 259.06 g/mol.
Where can I buy ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate?
You can request a quote for ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.