![(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate structure](/static/products/4529/452966-29-9.webp)
(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate
TL;DR: (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate (CAS 452966-29-9) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003314, (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 1.7229 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 925.7391 |
Chemical Identifiers
| CAS Number | 452966-29-9 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate (CAS 452966-29-9), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate
Property Insights of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 1.7229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate 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 (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate is 452966-29-9.
What is the molecular formula of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate is C15H12N4O3S.
What is the molecular weight of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate is 328.06 g/mol.
Where can I buy (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.