![7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one structure](/static/products/869/869073-66-5.png)
7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
TL;DR: 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869073-66-5) is a chemical compound with molecular formula C13H17N5O2S2 and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, F1853-0014, 7-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 7-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C13H17N5O2S2 |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 1.34912 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.08237 |
| Heavy Atoms | 22 |
| Complexity | 733.59595 |
Chemical Identifiers
| CAS Number | 869073-66-5 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)N3CCCCCC3 |
Product Overview
7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869073-66-5), with molecular formula C13H17N5O2S2 and molecular weight 339.08 g/mol. IUPAC: 7-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Property Insights of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
The XLogP value of 1.34912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. Following Lipinski's Rule of Five, 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has 0 hydrogen bond donor(s) and 7 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 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The CAS number of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 869073-66-5.
What is the molecular formula of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular formula of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is C13H17N5O2S2.
What is the molecular weight of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular weight of 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 339.08 g/mol.
Where can I buy 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
You can request a quote for 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.