![6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione structure](/static/products/7506/750618-39-4.webp)
6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
TL;DR: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 750618-39-4) is a chemical compound with molecular formula C11H16N4O3S and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione, 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione, 6-{[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C11H16N4O3S |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | -0.0471 |
| Topological Polar Surface Area | 98.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0943 |
| Heavy Atoms | 19 |
| Complexity | 545.3616 |
Chemical Identifiers
| CAS Number | 750618-39-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NNC(=O)NC2=O |
Product Overview
6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 750618-39-4), with molecular formula C11H16N4O3S and molecular weight 284.09 g/mol. IUPAC: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
Property Insights of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
The XLogP value of -0.0471 indicates that 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione. Following Lipinski's Rule of Five, 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione has 2 hydrogen bond donor(s) and 5 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 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The CAS number of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is 750618-39-4.
What is the molecular formula of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular formula of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is C11H16N4O3S.
What is the molecular weight of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular weight of 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is 284.09 g/mol.
Where can I buy 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
You can request a quote for 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.