6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione
TL;DR: 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione (CAS 90769-20-3) is a chemical compound with molecular formula C9H15N3O4S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hexylsulfonyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-(hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione, 6-hexylsulfonyl-2H-1,2,4-triazine-3,5-dione, 6-(hexane-1-sulfonyl)-2H-[1,2,4]triazine-3,5-dione, 6-(Hexane-1-sulfonyl)-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C9H15N3O4S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.07834 |
| Heavy Atoms | 17 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 90769-20-3 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)C1=NNC(=O)NC1=O |
| InChIKey | FCCQYIQZTZCBEM-UHFFFAOYSA-N |
Product Overview
6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione (CAS 90769-20-3), with molecular formula C9H15N3O4S and molecular weight 261.08 g/mol. IUPAC: 6-hexylsulfonyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione
Property Insights of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione. Following Lipinski's Rule of Five, 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-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-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The CAS number of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione is 90769-20-3.
What is the molecular formula of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular formula of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione is C9H15N3O4S.
What is the molecular weight of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular weight of 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione is 261.08 g/mol.
Where can I buy 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione?
You can request a quote for 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Hexylsulfonyl)-1,2,4-triazine-3,5(2h,4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.