![4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid structure](/static/products/4385/438574-92-6.webp)
4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid
TL;DR: 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid (CAS 438574-92-6) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid
Also Known As: 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid, 4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]benzoic acid, 4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)benzoic acid, F0916-6736, 4-[(10-oxo-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-9-yl)methyl]benzoic Acid
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 1.538 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 869.2163 |
Chemical Identifiers
| CAS Number | 438574-92-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid (CAS 438574-92-6), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid
Property Insights of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid
The XLogP value of 1.538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 4 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-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid?
The CAS number of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid is 438574-92-6.
What is the molecular formula of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid?
The molecular formula of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid is C15H11N3O3.
What is the molecular weight of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid?
The molecular weight of 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid is 281.08 g/mol.
Where can I buy 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid?
You can request a quote for 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.