![3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one structure](/static/products/869/869074-79-3.png)
3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
TL;DR: 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869074-79-3) is a chemical compound with molecular formula C16H12N4OS2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, F1853-0127, 3-methyl-7-((naphthalen-1-ylmethyl)thio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-7-(naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C16H12N4OS2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.29992 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.04526 |
| Heavy Atoms | 23 |
| Complexity | 1065.2483 |
Chemical Identifiers
| CAS Number | 869074-79-3 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=CC4=CC=CC=C43 |
Product Overview
3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869074-79-3), with molecular formula C16H12N4OS2 and molecular weight 340.05 g/mol. IUPAC: 3-methyl-7-(naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Property Insights of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
The XLogP value of 3.29992 indicates that 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. Following Lipinski's Rule of Five, 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has 0 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 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The CAS number of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 869074-79-3.
What is the molecular formula of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular formula of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is C16H12N4OS2.
What is the molecular weight of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular weight of 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 340.05 g/mol.
Where can I buy 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
You can request a quote for 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-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 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-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.