![4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide structure](/static/products/1001/1001635-36-4.webp)
4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide
TL;DR: 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide (CAS 1001635-36-4) is a chemical compound with molecular formula C21H16N4O2S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
Also Known As: 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide, 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide, 2-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
| Molecular Formula | C21H16N4O2S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 3.5814 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0994 |
| Heavy Atoms | 28 |
| Complexity | 1191.6279 |
Chemical Identifiers
| CAS Number | 1001635-36-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide (CAS 1001635-36-4), with molecular formula C21H16N4O2S and molecular weight 388.10 g/mol. IUPAC: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide.
Chemical Property Profile of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide
Property Insights of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide
The XLogP value of 3.5814 indicates that 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide. Following Lipinski's Rule of Five, 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-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 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide?
The CAS number of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide is 1001635-36-4.
What is the molecular formula of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide?
The molecular formula of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide is C21H16N4O2S.
What is the molecular weight of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide?
The molecular weight of 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide is 388.10 g/mol.
Where can I buy 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide?
You can request a quote for 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-N-[2-(phenylthio)phenyl]-1,2,3-benzotriazine-3(4H)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.