(4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate (CAS 54769-57-2) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 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) benzenesulfonate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate, 3-[(phenylsulfonyl)oxy]-1,2,3-benzotriazin-4(3H)-one, AI-204/31724052, 4-oxo-3,4-dihydro-3-benzene-sulfonyloxy-1,2,3-benzotriazine
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 0.609 |
| Topological Polar Surface Area | 91.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 951.81726 |
Chemical Identifiers
| CAS Number | 54769-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate (CAS 54769-57-2), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate
The XLogP value of 0.609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate. The TPSA of 91.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate 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 (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate is 54769-57-2.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate is C13H9N3O4S.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate is 303.03 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.