![(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate structure](/static/products/4529/452929-69-0.webp)
(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate (CAS 452929-69-0) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 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 3-(benzylsulfamoyl)benzoate
Also Known As: (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzylsulfamoyl)benzoate, (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(benzylsulfamoyl)benzoate
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 2.0845 |
| Topological Polar Surface Area | 120.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1435.6874 |
Chemical Identifiers
| CAS Number | 452929-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate (CAS 452929-69-0), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzylsulfamoyl)benzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate
The XLogP value of 2.0845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate. The TPSA of 120.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate has 1 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-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate is 452929-69-0.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate is C22H18N4O5S.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate is 450.10 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate 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(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-[[(phenylmethyl)amino]sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.