![N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide structure](/static/products/1001/1001736-28-2.webp)
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
TL;DR: N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide (CAS 1001736-28-2) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylsulfanylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Also Known As: EiM08-08388, N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide, N-(3-methylsulfanylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide, N-(3-(methylthio)phenyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide, N-[3-(METHYLSULFANYL)PHENYL]-2-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]ACETAMIDE
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.1521 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 923.09735 |
Chemical Identifiers
| CAS Number | 1001736-28-2 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide (CAS 1001736-28-2), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: N-(3-methylsulfanylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
Chemical Property Profile of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Property Insights of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
The XLogP value of 2.1521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide. Following Lipinski's Rule of Five, N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide has 1 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 N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide?
The CAS number of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide is 1001736-28-2.
What is the molecular formula of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide?
The molecular formula of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide is C16H14N4O2S.
What is the molecular weight of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide?
The molecular weight of N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide is 326.08 g/mol.
Where can I buy N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide?
You can request a quote for N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.